SCHEMBL9722271

SCHEMBL9722271

c1ccc2c(c1)CCC2CN1CCN(c2noc3ccccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 13/20 0.58
HTR1A P08908 12/20 0.58
DRD2 P14416 9/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9722277 1.00 HTR2A (0.58) HTR2AHTR1ADRD2
SCHEMBL9190222 0.88 HTR1A (0.50) HTR2AHTR1ADRD2
SCHEMBL9722237 0.87 HTR2A (0.60) HTR2AHTR1ADRD2
SCHEMBL9722234 0.87 HTR2A (0.60) HTR2AHTR1ADRD2
SCHEMBL8140978 0.82 HTR1A (0.58) HTR2AHTR1ADRD2
SCHEMBL9722272 0.77 DRD2 (0.58) HTR2AHTR1ADRD2
SCHEMBL9722279 0.77 DRD2 (0.58) HTR2AHTR1ADRD2
SCHEMBL9187663 0.76 HTR2A (0.53) HTR2AHTR1ADRD2
SCHEMBL19852433 0.76 GRIN2B (0.53) HTR1ADRD2
Hydrochloric Acid SCHEMBL9722317 0.75 HTR2A (0.52) HTR2AHTR1ADRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5173490-A Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants ADIR ET COMPAGNIE (FR) 1992-12-22 US disclosed