SCHEMBL4028033

SCHEMBL4028033

COc1cccc(C(=O)[C@H]2CN(CCN(C)C)C[C@H](C(=O)c3cccc(O)c3)[C@H]2c2cccc(F)c2C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 8/20 0.40
KIF11 P52732 1/20 0.38
MGLL Q99685 2/20 0.38
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
DRD4 P21917 1/20 0.37
HSD11B1 P28845 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
MEN1 O00255 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL4780092 0.96 KDM2B (0.43) KDM2BKMT2AHTTDRD4HSD11B1
SCHEMBL4029041 0.93 KDM4E (0.38) KDM2BMGLLKMT2AMEN1ALDH1A1
SCHEMBL4338025 0.91 KDM2B (0.41) KDM2BMGLLKMT2AHTTHSD11B1
SCHEMBL4026114 0.91 KDM2B (0.41) KDM2BMGLLKMT2AHTTHSD11B1
SCHEMBL4338035 0.91 KDM2B (0.41) KDM2BMGLLKMT2AHTTHSD11B1
SCHEMBL4025770 0.91 KDM2B (0.41) KDM2BMGLLKMT2AHTTHSD11B1
SCHEMBL4779051 0.90 KDM4E (0.36) KDM2BMGLLKMT2AMEN1ALDH1A1
SCHEMBL4021139 0.90 KDM2B (0.43) KDM2BMGLLKMT2AHTTESR1
SCHEMBL4019102 0.88 ACHE (0.37) KIF11MGLLDRD4ALDH1A1
SCHEMBL4025347 0.88 KIF11 (0.37) KIF11DRD4ALDH1A1

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 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