SCHEMBL4022834

SCHEMBL4022834

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(CC2CCCN2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM2B Q8NHM5 10/20 0.37
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
SSTR2 P30874 4/20 0.33
CACNA2D1 P54289 1/20 0.32
CACNA1B Q00975 1/20 0.32
CACNB1 Q02641 1/20 0.32
MGLL Q99685 1/20 0.32
SSTR4 P31391 1/20 0.32
SSTR3 P32745 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4751400 0.88 CFD (0.36) CHRNB4CHRNA3SSTR2MGLL
SCHEMBL4018815 0.86 KDM2B (0.38) KDM2BKCNH2
SCHEMBL4023514 0.85 CFD (0.36) CHRNB4CHRNA3MGLL
SCHEMBL4752760 0.84 CHRNB4 (0.32) CHRNB4CHRNA3SSTR2SSTR4SSTR3
SCHEMBL4774948 0.83 KDM2B (0.35) KDM2BCHRNB4CHRNA3MGLL
SCHEMBL4749094 0.82 KDM2B (0.34) KDM2BCHRNB4CHRNA3MGLL
SCHEMBL13720775 0.81 MEN1 (0.35) KDM2BMGLL
SCHEMBL4024525 0.81 MEN1 (0.35) KDM2BMGLL
SCHEMBL4024540 0.81 MEN1 (0.35) KDM2BMGLL
SCHEMBL4020633 0.81 MEN1 (0.35) KDM2BMGLL

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