SCHEMBL4752271

SCHEMBL4752271

CS(=O)(=O)[As](CC1CC1)c1ccccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2)CC1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MC4R P32245 19/20 0.54
SMYD3 Q9H7B4 1/20 0.43
MC5R P33032 1/20 0.42
MC3R P41968 1/20 0.42
MC1R Q01726 1/20 0.42

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
SCHEMBL4678742 0.86 MC4R (0.58) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL6252350 0.86 MC4R (0.58) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL4752273 0.85 MC4R (0.43) MC4RMC5RMC3RMC1R
SCHEMBL4697531 0.84 MC4R (0.61) MC4R
SCHEMBL4697587 0.83 MC4R (0.56) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL14559908 0.81 MC4R (0.67) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL14591463 0.81 MC4R (0.66) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL4698206 0.81 MC4R (0.65) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL14591290 0.81 MC4R (0.57) MC4RSMYD3MC5RMC3RMC1R
SCHEMBL4700096 0.81 MC4R (0.57) MC4RSMYD3MC5RMC3RMC1R

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-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP claimed