Molecular moment similarity between clozapine and substituted [(4-phenylpiperazinyl)-methyl] benzamides: selective dopamine D4 agonists

J Comput Aided Mol Des. 1998 Nov;12(6):525-32. doi: 10.1023/a:1008064003409.

Abstract

Moment descriptors of the molecular charge and mass distributions are investigated within the context of molecular similarity. Euclidean distances in the moment descriptor space are shown to yield molecular proximities in accord with chemical intuition for a substituted [(4-phenylpiperazinyl)-methyl] benzamide series of dopamine D4 agonists. The proximity of the dopamine D4 antagonist clozapine to the molecules of this series is also examined in the moment space.

MeSH terms

  • Benzamides / chemistry*
  • Clozapine / chemistry*
  • Dopamine Agonists / chemistry*
  • Models, Molecular
  • Molecular Structure
  • Receptors, Dopamine D2 / agonists*
  • Receptors, Dopamine D4

Substances

  • Benzamides
  • Dopamine Agonists
  • Receptors, Dopamine D2
  • Receptors, Dopamine D4
  • Clozapine