SCHEMBL4025503

SCHEMBL4025503

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.34
KDM2B Q8NHM5 2/20 0.33
OPRD1 P41143 2/20 0.32
OPRM1 P35372 1/20 0.32
MGLL Q99685 2/20 0.32
MC4R P32245 1/20 0.31
OPRK1 P41145 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4022223 0.90 KIF11 (0.32) KIF11KDM2BOPRD1OPRM1MC4R
SCHEMBL4022530 0.89 KDM2B (0.34) KIF11KDM2BMGLLMC4RMEN1
SCHEMBL13721304 0.89 KDM2B (0.34) KIF11KDM2BMGLLMC4RMEN1
SCHEMBL4023878 0.89 KDM2B (0.34) KIF11KDM2BMGLLMC4RMEN1
SCHEMBL4020419 0.89 KDM2B (0.32) KIF11KDM2BOPRD1OPRM1MGLL
SCHEMBL4749303 0.87 KDM2B (0.31) KIF11KDM2B
SCHEMBL4749092 0.87 KDM2B (0.31) KIF11KDM2B
SCHEMBL4749288 0.87 KDM2B (0.31) KIF11KDM2B
SCHEMBL4749084 0.87 KDM2B (0.31) KIF11KDM2B
SCHEMBL4018647 0.86 KDM2B (0.33) KDM2BMGLLMC4RMEN1KMT2A

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 1 patent. 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