SCHEMBL4028130

SCHEMBL4028130

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CC(C)(C)N(C)C)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 4/20 0.35
MGLL Q99685 2/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
KIF11 P52732 4/20 0.31
OPRD1 P41143 2/20 0.31
OPRK1 P41145 2/20 0.31
OPRM1 P35372 1/20 0.31
MC4R P32245 1/20 0.30
SLC2A1 P11166 1/20 0.30
SLC2A4 P14672 1/20 0.30

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
SCHEMBL4022303 0.89 KDM2B (0.34) KDM2BMGLLMEN1KMT2AKIF11
SCHEMBL4024473 0.85 ABL1 (0.37) KDM2BMGLLMEN1KMT2AKIF11
SCHEMBL4024477 0.85 ABL1 (0.37) KDM2BMGLLMEN1KMT2AKIF11
SCHEMBL4029041 0.85 KDM4E (0.38) KDM2BMGLLMEN1KMT2AOPRD1
SCHEMBL4749303 0.84 KDM2B (0.31) KDM2BKIF11
SCHEMBL4749084 0.84 KDM2B (0.31) KDM2BKIF11
SCHEMBL4749092 0.84 KDM2B (0.31) KDM2BKIF11
SCHEMBL4749288 0.84 KDM2B (0.31) KDM2BKIF11
SCHEMBL4020633 0.83 MEN1 (0.35) KDM2BMGLLMEN1KMT2AOPRD1
SCHEMBL4024540 0.83 MEN1 (0.35) KDM2BMGLLMEN1KMT2AKIF11

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 disclosed
WO-2007059323-A2 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INC. (US) 2007-05-24 WO disclosed