SCHEMBL4022223

SCHEMBL4022223

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.32
KDM2B Q8NHM5 2/20 0.31
MC4R P32245 1/20 0.31
OPRM1 P35372 1/20 0.31
OPRD1 P41143 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
SCHEMBL4025503 0.90 KIF11 (0.34) KIF11KDM2BMC4ROPRM1OPRD1
SCHEMBL4023878 0.85 KDM2B (0.34) KIF11KDM2BMC4R
SCHEMBL13721304 0.85 KDM2B (0.34) KIF11KDM2BMC4R
SCHEMBL4022530 0.85 KDM2B (0.34) KIF11KDM2BMC4R
SCHEMBL4022478 0.85 KDM2B (0.31) KDM2B
SCHEMBL4020720 0.85 KDM2B (0.31) KDM2B
SCHEMBL4028045 0.85 OPRM1 (0.35) KIF11KDM2BOPRM1OPRD1
SCHEMBL13721487 0.85 OPRM1 (0.35) KIF11KDM2BOPRM1OPRD1
SCHEMBL4028041 0.85 OPRM1 (0.35) KIF11KDM2BOPRM1OPRD1
SCHEMBL4020419 0.83 KDM2B (0.32) KIF11KDM2BOPRM1OPRD1

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