SCHEMBL13002977

SCHEMBL13002977

CNC[C@H](C)Cc1cc(Cl)ccc1C1CCN(C(=O)[C@@H](Cc2ccc(F)cc2Cl)NC(=O)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 12/20 0.46
▸ CALCA P06881 7/20 0.44
▸ MC5R P33032 1/20 0.41
▸ MC3R P41968 1/20 0.41
▸ MC1R Q01726 1/20 0.41
▸ CYP3A4 P08684 3/20 0.39
▸ UGCG Q16739 1/20 0.39

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
SCHEMBL12713330 0.91 MC4R (0.46) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713328 0.91 MC4R (0.46) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713202 0.85 CALCA (0.48) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713338 0.85 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713332 0.85 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713336 0.85 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713335 0.85 CALCA (0.43) MC4RCALCAMC5RMC3RMC1R
SCHEMBL13002978 0.83 CALCA (0.45) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713320 0.82 CALCA (0.45) MC4RCALCAMC5RMC3RMC1R
SCHEMBL12713321 0.82 CALCA (0.45) MC4RCALCAMC5RMC3RMC1R

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
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP disclosed
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