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Sugi Predict / Compounds / SCHEMBL2315570

SCHEMBL2315570

SCHEMBL2315570

CCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 18/20 0.46
▸ MC5R P33032 13/20 0.46
▸ MC3R P41968 13/20 0.46
▸ MC1R Q01726 13/20 0.46
▸ ALDH1A1 P00352 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ CYP51A1 Q16850 1/20 0.38

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
SCHEMBL2318041 1.00 MC4R (0.46) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL3682407 0.96 MC4R (0.40) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL2315290 0.94 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1310141 0.94 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1307815 0.94 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1307814 0.94 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309537 0.93 MC4R (0.51) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1308368 0.93 MC4R (0.51) MC4RMC5RMC3RMC1RCYP3A4
SCHEMBL1309007 0.93 MC4R (0.42) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1308372 0.93 MC4R (0.51) MC4RMC5RMC3RMC1RCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 — — EP claimed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO claimed
EP-2352728-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 — — EP disclosed
WO-2010052255-A1 MELANOCORTIN RECEPTOR MODULATORS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 — — WO disclosed