SCHEMBL4774717

SCHEMBL4774717

COCCN1C[C@H](C(=O)c2ccccc2)[C@H](c2cccc(F)c2C)[C@@H](C(=O)N2CCOCC2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.43
PIK3CD O00329 1/20 0.38
PIK3R2 O00459 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
PIK3R5 Q8WYR1 1/20 0.38
PIK3R3 Q92569 1/20 0.38
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CTSS P25774 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSK P43235 1/20 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
SCHEMBL4776650 0.92 MC4R (0.44) MC4RTSHRMEN1KMT2AKDM4E
SCHEMBL4776626 0.92 MC4R (0.44) MC4RTSHRMEN1KMT2AKDM4E
SCHEMBL4751347 0.90 MC4R (0.44) MC4RMEN1KMT2AALDH1A1NTRK1
SCHEMBL4751666 0.90 MC4R (0.43) MC4RMEN1KMT2ANTRK1
SCHEMBL4752905 0.90 MC4R (0.43) MC4RMEN1KMT2ANTRK1
SCHEMBL4780053 0.89 MC4R (0.44) MC4RMEN1KMT2AKDM4EALDH1A1
SCHEMBL4752746 0.89 MC4R (0.44) MC4RMEN1KMT2AALDH1A1NTRK1
SCHEMBL4751369 0.88 MC4R (0.42) MC4RMEN1KMT2AALDH1A1NTRK1
SCHEMBL4751319 0.88 MC4R (0.41) MC4RKMT2AALDH1A1NTRK1
SCHEMBL4794920 0.87 MC4R (0.44) MC4RMEN1KMT2AALDH1A1NTRK1

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