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Sugi Predict / Compounds / SCHEMBL2364023

SCHEMBL2364023

SCHEMBL2364023

CCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)N(C(=O)NCCc2c[nH]cn2)N(CCc2c[nH]cn2)C(=O)NC(Cc2ccc(OC)cc2)C(=O)N2CC(OCCC)(C3CCCCC3C)C2)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 17/20 0.33
▸ MC5R P33032 14/20 0.33
▸ MC3R P41968 14/20 0.33
▸ MC1R Q01726 11/20 0.33
▸ ALDH1A1 P00352 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ REN P00797 1/20 0.31

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
SCHEMBL2364025 0.89 MC4R (0.37) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309692 0.83 MC1R (0.39) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL3686984 0.82 MC4R (0.33) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309192 0.82 MC4R (0.41) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL16447753 0.82 TP53 (0.34) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL15273376 0.82 TP53 (0.34) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1310684 0.81 MC4R (0.40) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309066 0.81 MC4R (0.41) MC4RMC5RMC3RMC1RALDH1A1
Trifluoroacetic Acid SCHEMBL1309243 0.80 KMT2A (0.37) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309246 0.79 MC4R (0.35) MC4RMC5RMC3RMC1R

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