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Sugi Predict / Compounds / SCHEMBL3685094

SCHEMBL3685094

SCHEMBL3685094

CCCC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)NCCc2c[nH]cn2)CC1.CCCC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.48
▸ MC5R P33032 19/20 0.48
▸ MC3R P41968 14/20 0.48
▸ MC1R Q01726 7/20 0.48

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
SCHEMBL15016844 0.97 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL1310129 0.97 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL15016689 0.96 MEN1 (0.42) MC4RMC5RMC3RMC1R
SCHEMBL1309046 0.96 MEN1 (0.42) MC4RMC5RMC3RMC1R
SCHEMBL1325132 0.93 MC4R (0.49) MC4RMC5RMC3RMC1R
SCHEMBL1324515 0.92 MC4R (0.48) MC4RMC5RMC3RMC1R
SCHEMBL1310521 0.90 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL15016939 0.90 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL15016642 0.90 MC4R (0.51) MC4RMC5RMC3RMC1R
SCHEMBL15016639 0.90 MC4R (0.51) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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