SCHEMBL4779404

SCHEMBL4779404

Cc1cccc(C2C(C(=O)c3cccc(F)c3)CN(CCN)CC2c2[c]cccc2F)c1C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MC4R P32245 4/20 0.32
KIF11 P52732 1/20 0.32
MEN1 O00255 5/20 0.31
KMT2A Q03164 5/20 0.31
MC5R P33032 2/20 0.31
MC1R Q01726 1/20 0.31
LMNA P02545 1/20 0.31
EED O75530 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 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
SCHEMBL4779421 1.00 MCHR1 (0.34) MCHR1ALDH1A1GAAMC4RKIF11
SCHEMBL4020281 0.93 EED (0.34) MCHR1ALDH1A1GAAMC4RMEN1
SCHEMBL4019099 0.91 ALDH1A1 (0.35) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4023939 0.89 MCHR1 (0.37) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4028159 0.87 ALDH1A1 (0.39) MCHR1ALDH1A1GAAKIF11MEN1
SCHEMBL4025011 0.86 MCHR1 (0.30) MCHR1
SCHEMBL4779411 0.86 MC4R (0.34) MCHR1ALDH1A1GAAMC4RMEN1
SCHEMBL4026452 0.78 ALDH1A1 (0.40) MCHR1ALDH1A1GAAMEN1KMT2A
SCHEMBL4772648 0.76 KIF11 (0.44) ALDH1A1KIF11MEN1KMT2ALMNA
SCHEMBL4021692 0.76 ALDH1A1 (0.38) ALDH1A1GAAKIF11MEN1KMT2A

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