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Sugi Predict / Compounds / SCHEMBL2316504

SCHEMBL2316504

SCHEMBL2316504

CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=S)NCCCc2c[nH]cn2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=S)NCCc2cn(C)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 18/20 0.37
▸ MC5R P33032 17/20 0.37
▸ MC3R P41968 13/20 0.37
▸ MC1R Q01726 8/20 0.37
▸ HTT P42858 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35

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
SCHEMBL1325077 0.94 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1325076 0.94 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1324378 0.93 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1309110 0.93 MC4R (0.42) MC4RMC5RMC3RMC1RHTT
SCHEMBL1309107 0.93 MC4R (0.42) MC4RMC5RMC3RMC1RHTT
SCHEMBL1324381 0.93 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1307814 0.87 MC4R (0.43) MC4RMC5RMC3RMC1RHTT
SCHEMBL1310141 0.87 MC4R (0.43) MC4RMC5RMC3RMC1RHTT
SCHEMBL15673552 0.87 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1307815 0.87 MC4R (0.43) MC4RMC5RMC3RMC1RHTT

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-2352729-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 — — EP disclosed
WO-2010052256-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO disclosed