SCHEMBL4022160

SCHEMBL4022160

COc1cccc(C(=O)C2CN(CCNC(=O)OC(C)(C)C)CC(C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD2 P14416 6/20 0.41
CCR3 P51677 1/20 0.39
KDM2B Q8NHM5 3/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
PMP22 Q01453 1/20 0.38
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL13721566 1.00 DRD4 (0.42) DRD4CYP2C9CYP2C19DRD2CCR3
SCHEMBL4022167 1.00 DRD4 (0.42) DRD4CYP2C9CYP2C19DRD2CCR3
SCHEMBL4752775 0.95 DRD2 (0.46) DRD4DRD2CCR3
SCHEMBL4749499 0.94 DRD2 (0.45) DRD4DRD2CCR3
SCHEMBL4021763 0.89 SMN1; SMN2 (0.37) DRD4DRD2KDM2BMAPTTHRB
SCHEMBL13720836 0.89 SMN1; SMN2 (0.37) DRD4DRD2KDM2BMAPTTHRB
SCHEMBL4021768 0.89 SMN1; SMN2 (0.37) DRD4DRD2KDM2BMAPTTHRB
SCHEMBL4019477 0.88 DRD4 (0.41) DRD4CYP2C9CYP2C19DRD2CCR3
SCHEMBL4024597 0.84 KDM2B (0.45) DRD2KDM2BSMN1; SMN2
SCHEMBL4021398 0.84 KDM2B (0.45) DRD2KDM2BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572814-B2 3,5-dibenzoyl-4-phenyl-piperidine anti-cancer compounds CYTOKINETICS, INCORPORATED (US) 2009-08-11 US disclosed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed