SCHEMBL11463576

SCHEMBL11463576

COc1cccc(CN2CCN(CCCOc3ccc4c(C)cc(=O)[nH]c4c3)CC2)c1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.62
BCHE P06276 3/20 0.62
KDM4E B2RXH2 1/20 0.53
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
HTR1A P08908 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
SIGMAR1 Q99720 1/20 0.48

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
SCHEMBL11351471 0.90 KDM4E (0.54) ACHEBCHEKDM4EDRD2DRD4
SCHEMBL11084557 0.89 ACHE (0.58) ACHEBCHEKDM4EDRD2DRD3
SCHEMBL11343643 0.84 MAOB (0.52) ACHEBCHE
SCHEMBL11347971 0.83 DRD2 (0.58) ACHEBCHEKDM4EDRD2DRD4
Hydrochloric Acid SCHEMBL10568463 0.79 DRD2 (0.66) DRD2DRD4DRD3HTR1ASIGMAR1
SCHEMBL11066530 0.78 MAOB (0.62) ACHEBCHESIGMAR1
SCHEMBL11342118 0.78 DRD2 (0.63) DRD2DRD3HTR1A
SCHEMBL11345831 0.77 PDE3B (0.50) ACHEBCHEKDM4EDRD2DRD4
SCHEMBL11345865 0.77 ALOX5 (0.52) DRD2DRD4DRD3HTR1A
SCHEMBL15971627 0.77 ACHE (1.00) ACHEBCHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4234585-A ANTIALLERGENS, HYPOTENSIVE BOEHRINGER MANNHEIM GMBH (DE) 1980-11-18 US disclosed
EP-0006506-A1 Carbostyrile derivatives, processes for their preparation and pharmaceutical compositions containing them Roche Diagnostics GmbH (DE) 1980-01-09 EP disclosed