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Sugi Predict / Compounds / SCHEMBL2364025

SCHEMBL2364025

SCHEMBL2364025

CCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1.CCCOC1(C2CCCCC2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 15/20 0.37
▸ MC5R P33032 12/20 0.37
▸ MC3R P41968 12/20 0.37
▸ MC1R Q01726 9/20 0.37
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CALCRL Q16602 1/20 0.33

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
SCHEMBL1309692 0.94 MC1R (0.39) MC4RMC5RMC3RMC1RHTT
SCHEMBL1309192 0.93 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
Trifluoroacetic Acid SCHEMBL1309243 0.90 KMT2A (0.37) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309066 0.90 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL1325428 0.90 MC4R (0.40) MC4RMC5RMC3RMC1RHTT
SCHEMBL3696936 0.89 MC4R (0.40) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL3686987 0.89 MC4R (0.39) MC4RMC5RMC3RMC1R
SCHEMBL2364023 0.89 MC4R (0.33) MC4RMC5RMC3RMC1RHTT
SCHEMBL1325224 0.88 MC4R (0.40) MC4RMC5RMC3RMC1RHTT
SCHEMBL1311203 0.88 MC4R (0.41) 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 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