SCHEMBL4022593

SCHEMBL4022593

COc1cccc(C(=O)[C@H]2CN(CCN3CCOCC3)C[C@H](C(=O)c3cccc(OC)c3)C2c2cccc(F)c2C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.46
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
MAPT P10636 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM2B Q8NHM5 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPK1 P28482 1/20 0.42
UBE2I P63279 1/20 0.42
HKDC1 Q2TB90 1/20 0.42
SAE1 Q9UBE0 1/20 0.42

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
SCHEMBL4024597 0.89 KDM2B (0.45) L3MBTL1ALDH1A1MEN1KMT2AKDM2B
SCHEMBL4021398 0.89 KDM2B (0.45) L3MBTL1ALDH1A1MEN1KMT2AKDM2B
SCHEMBL4022832 0.87 KDM2B (0.43) L3MBTL1MEN1KMT2AKDM2BNPSR1
SCHEMBL4029178 0.87 KDM2B (0.43) L3MBTL1MEN1KMT2AKDM2BNPSR1
SCHEMBL4027359 0.87 HTR2A (0.42) CYP2C9CYP2C19L3MBTL1MEN1KMT2A
SCHEMBL4023928 0.87 HTR2A (0.42) CYP2C9CYP2C19L3MBTL1MEN1KMT2A
SCHEMBL4780092 0.86 KDM2B (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM2B
SCHEMBL4024193 0.86 KDM2B (0.43) L3MBTL1MEN1KMT2AKDM2BNPSR1
SCHEMBL4026553 0.85 POLB (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM2B
SCHEMBL4026555 0.85 POLB (0.43) L3MBTL1ALDH1A1MEN1KMT2AKDM2B

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 5 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 claimed
EP-1962846-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS Cytokinetics, Inc. (US) 2008-09-03 EP claimed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO claimed
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