SCHEMBL14435603

SCHEMBL14435603

CC(COc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2F)NC(=O)OC(C)(C)C)CC1)N1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 7/20 0.44
▸ KMT2A Q03164 2/20 0.40
▸ ADAM17 P78536 2/20 0.39
▸ ADAMTS5 Q9UNA0 2/20 0.39
▸ SCN9A Q15858 3/20 0.38
▸ CYP51A1 Q16850 1/20 0.38
▸ PABPC1 P11940 1/20 0.38
▸ MAPK1 P28482 1/20 0.37
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37

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
SCHEMBL12737691 0.88 MC4R (0.44) MC4RKMT2ASCN9ACYP51A1PABPC1
SCHEMBL14435248 0.84 ADAM17 (0.43) MC4RADAM17ADAMTS5MC5RMC3R
SCHEMBL14435238 0.84 ADAM17 (0.43) MC4RADAM17ADAMTS5MC5RMC3R
SCHEMBL12713171 0.82 CALCA (0.46) MC4RADAM17ADAMTS5MC5RMC3R
SCHEMBL12713160 0.80 ADAM17 (0.44) KMT2AADAM17ADAMTS5
SCHEMBL12713317 0.80 CALCA (0.42) MC4RADAM17ADAMTS5CYP51A1MC5R
SCHEMBL12738196 0.80 MC4R (0.52) MC4RKMT2AMAPK1MC5RMC3R
SCHEMBL12737362 0.80 MC4R (0.45) MC4RKMT2APABPC1MAPK1
SCHEMBL14431445 0.79 MC4R (0.51) MC4RMC3R
SCHEMBL12713318 0.78 CALCA (0.41) MC4RADAM17ADAMTS5CYP51A1MC5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
Send feedback