SCHEMBL4776626

SCHEMBL4776626

COCCN1C[C@H](C(=O)c2ccccc2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)N2CCC2)C1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.44
ALDH1A1 P00352 1/20 0.37
KDM4E B2RXH2 2/20 0.35
PKM P14618 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 2/20 0.35
NTRK1 P04629 1/20 0.35
MEN1 O00255 1/20 0.35
DPP4 P27487 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
NPC1 O15118 1/20 0.34
KDM2B Q8NHM5 1/20 0.34
RBP4 P02753 1/20 0.34
KCNA5 P22460 1/20 0.34
DRD3 P35462 1/20 0.34

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
SCHEMBL4776650 0.98 MC4R (0.44) MC4RALDH1A1KDM4EPKMTSHR
SCHEMBL4751666 0.92 MC4R (0.43) MC4RKMT2ANTRK1MEN1RBP4
SCHEMBL4774717 0.92 MC4R (0.43) MC4RALDH1A1KDM4ETSHRKMT2A
SCHEMBL4751347 0.92 MC4R (0.44) MC4RALDH1A1KMT2ANTRK1MEN1
SCHEMBL4752905 0.92 MC4R (0.43) MC4RKMT2ANTRK1MEN1RBP4
SCHEMBL4779390 0.92 MC4R (0.43) MC4RALDH1A1KDM2BRBP4
SCHEMBL4780053 0.92 MC4R (0.44) MC4RALDH1A1KDM4EKMT2ANTRK1
SCHEMBL4752746 0.91 MC4R (0.44) MC4RALDH1A1KMT2ANTRK1MEN1
SCHEMBL4751369 0.91 MC4R (0.42) MC4RALDH1A1KMT2ANTRK1MEN1
SCHEMBL4751319 0.90 MC4R (0.41) MC4RALDH1A1KMT2ANTRK1RBP4

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 4 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
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