SCHEMBL4022812

SCHEMBL4022812

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCNCC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.35
MGLL Q99685 3/20 0.35
KDM2B Q8NHM5 7/20 0.33
KIF11 P52732 1/20 0.33
KCNH2 Q12809 1/20 0.33
CXCR2 P25025 1/20 0.33
FGR P09769 1/20 0.33
EPHA1 P21709 1/20 0.33
TXK P42681 1/20 0.33
FRK P42685 1/20 0.33
PTK6 Q13882 1/20 0.33

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
SCHEMBL4021116 0.94 SLC6A2 (0.35) HTR6MGLLKDM2BCXCR2
SCHEMBL4749242 0.90 OPRM1 (0.35) MGLLCXCR2
SCHEMBL4749224 0.90 OPRM1 (0.35) MGLLCXCR2
SCHEMBL4021646 0.89 MC4R (0.36) MGLLKDM2BKCNH2
SCHEMBL4018745 0.89 CXCR2 (0.35) MGLLKDM2BKCNH2CXCR2
SCHEMBL4018836 0.88 GRIN1 (0.38) MGLLKDM2B
SCHEMBL4025296 0.88 MGLL (0.35) MGLLKDM2B
SCHEMBL4751351 0.87 MEN1 (0.40) MGLL
SCHEMBL4752869 0.87 MEN1 (0.40) MGLL
SCHEMBL4749392 0.85 MGLL (0.36) MGLLKDM2B

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