SCHEMBL4780053

SCHEMBL4780053

COCCN1C[C@H](C(=O)c2ccccc2)C(c2cccc(F)c2C)[C@@H](C(=O)c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
NTRK1 P04629 9/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
F10 P00742 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.35
NTRK3 Q16288 3/20 0.35
NTRK2 Q16620 3/20 0.35

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
SCHEMBL4751807 0.97 MC4R (0.42) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4019465 0.97 MC4R (0.42) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4019468 0.97 MC4R (0.42) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4026815 0.93 MC4R (0.40) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4749170 0.93 MC4R (0.40) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4029258 0.93 MC4R (0.40) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4776650 0.92 MC4R (0.44) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4776626 0.92 MC4R (0.44) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL5636044 0.91 MC4R (0.39) MC4RKMT2AMEN1NTRK1KDM4E
SCHEMBL4751989 0.90 MC4R (0.38) MC4RKMT2AMEN1NTRK1F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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