SCHEMBL4021646

SCHEMBL4021646

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C2CCC(O)CC2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.36
MGLL Q99685 6/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
MC3R P41968 1/20 0.33
MC1R Q01726 1/20 0.33
KCNH2 Q12809 1/20 0.33
KDM2B Q8NHM5 4/20 0.33
ESRRG P62508 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL4018836 0.89 GRIN1 (0.38) MGLLGRIN1GRIN2BKDM2BMEN1
SCHEMBL4025296 0.89 MGLL (0.35) MC4RMGLLNPC1RAB9AGRIN1
SCHEMBL4022812 0.89 HTR6 (0.35) MGLLKCNH2KDM2B
SCHEMBL4752869 0.88 MEN1 (0.40) MGLLOPRM1MEN1KMT2A
SCHEMBL4751351 0.88 MEN1 (0.40) MGLLOPRM1MEN1KMT2A
SCHEMBL4749242 0.87 OPRM1 (0.35) MGLLNPC1RAB9AOPRM1MEN1
SCHEMBL4749224 0.87 OPRM1 (0.35) MGLLNPC1RAB9AOPRM1MEN1
SCHEMBL4020359 0.86 MC4R (0.33) MC4RMC3RMC1RKCNH2KDM2B
SCHEMBL4749392 0.86 MGLL (0.36) MGLLGRIN1GRIN2BOPRM1KDM2B
SCHEMBL4022170 0.85 NPSR1 (0.42) MGLLRAB9AGRIN1GRIN2BKDM2B

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