SCHEMBL4700944

SCHEMBL4700944

N#Cc1ccccc1S(=O)(=O)Nc1ccccc1C1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@@H]2Cc3ccccc3CN2C(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.39
MC5R P33032 5/20 0.39
MC3R P41968 5/20 0.39
MC1R Q01726 5/20 0.39
CYP51A1 Q16850 3/20 0.38
PYGL P06737 1/20 0.38
CYP3A4 P08684 1/20 0.37
TACR1 P25103 2/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL4698359 0.92 MCL1 (0.41) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL4697980 0.87 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL4699796 0.85 TACR1 (0.40) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL4701820 0.83 MC4R (0.41) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL4697983 0.83 MC4R (0.40) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL4754436 0.83 MC4R (0.43) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL4700243 0.83 MC4R (0.44) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL4698168 0.82 MC4R (0.45) MC4RMC5RMC3RMC1RCYP51A1
SCHEMBL4699523 0.81 RBP4 (0.45) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL4700875 0.81 MC4R (0.46) MC4RMC5RMC3RMC1RCYP51A1

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 disclosed