SCHEMBL9722281

SCHEMBL9722281

COc1cc2c(cc1OC)[C@H](CN1CCN(c3nsc4ccccc34)CC1)CC2

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 17/20 0.51
HTR2A P28223 17/20 0.51
DRD2 P14416 13/20 0.51
KCNH2 Q12809 11/20 0.51
DRD3 P35462 1/20 0.46

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
SCHEMBL9722278 1.00 HTR1A (0.51) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9722226 0.90 DRD2 (0.46) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9184054 0.84 HTR2A (0.52) HTR1AHTR2ADRD2DRD3
SCHEMBL9722272 0.84 DRD2 (0.58) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9722279 0.84 DRD2 (0.58) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9722222 0.83 HTR1A (0.53) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9722367 0.75 DRD2 (0.52) HTR1AHTR2ADRD2KCNH2DRD3
Hydrochloric Acid SCHEMBL9722283 0.74 KDM4E (0.51) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL10845187 0.74 DRD2 (0.68) HTR1AHTR2ADRD2KCNH2DRD3
SCHEMBL9722267 0.72 DRD2 (0.49) HTR1AHTR2ADRD2KCNH2DRD3

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