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Sugi Predict / Compounds / SCHEMBL2319977

SCHEMBL2319977

SCHEMBL2319977

CCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)N(C(=O)NCCc2c[nH]cn2)N(C(=O)NCc2c[nH]cn2)C(Cc2ccc(OC)cc2)C(=O)N2CCC(C(=O)CC)(C3CCCCC3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 14/20 0.35
▸ MC5R P33032 13/20 0.35
▸ MC3R P41968 11/20 0.35
▸ MC1R Q01726 10/20 0.35
▸ ALDH1A1 P00352 3/20 0.34
▸ HTT P42858 2/20 0.34
▸ POLB P06746 1/20 0.33
▸ CCR5 P51681 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
SCHEMBL2315161 0.90 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL16447725 0.87 MC4R (0.36) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL15273491 0.87 MC4R (0.36) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL3686984 0.86 MC4R (0.33) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309359 0.85 MC4R (0.35) MC4RMC5RMC3RMC1R
SCHEMBL1308793 0.85 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL12814374 0.85 MC4R (0.37) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL15016448 0.85 HTT (0.35) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309614 0.84 MC4R (0.35) MC4RMC5RMC3RMC1RALDH1A1
SCHEMBL1309205 0.83 MC4R (0.43) MC4RMC5RMC3RMC1RALDH1A1

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
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