SCHEMBL4020652

SCHEMBL4020652

Cc1c(F)cccc1C1[C@@H](C(=O)c2cccc(O)c2)CN(C(=O)C2CNCCN2)C[C@@H]1C(=O)c1cccc(O)c1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.32
MC4R P32245 2/20 0.30
KCNH2 Q12809 1/20 0.30
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL4884870 0.92
SCHEMBL4018846 0.86 MGLL (0.36) MGLLMC4RKCNH2
SCHEMBL4024700 0.85 MGLL (0.35) MGLLKCNH2
SCHEMBL4023656 0.82 MGLL (0.38) MGLL
SCHEMBL4025189 0.82 MGLL (0.38) MGLLHCRTR1HCRTR2
SCHEMBL4025192 0.82 MGLL (0.38) MGLLHCRTR1HCRTR2
SCHEMBL4023658 0.82 MGLL (0.38) MGLL
SCHEMBL4021116 0.81 SLC6A2 (0.35) MGLL
SCHEMBL4749182 0.81 MGLL (0.39) MGLL
SCHEMBL4751652 0.81 MGLL (0.39) MGLL

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 3 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