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Sugi Predict / Compounds / SCHEMBL2319409

SCHEMBL2319409

SCHEMBL2319409

CCCOC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)N(C(=S)NCCc2c[nH]cn2)N(C(=S)NCCc2c[nH]cn2)[C@H](Cc2ccc(OC)cc2)C(=O)N2CCC(C(=O)CCC)(C3CCCCC3)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 16/20 0.35
▸ MC5R P33032 16/20 0.35
▸ MC3R P41968 14/20 0.35
▸ MC1R Q01726 8/20 0.35
▸ HTT P42858 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ REN P00797 1/20 0.31
▸ POLB P06746 1/20 0.30

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
SCHEMBL2319412 0.89 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL3686984 0.89 MC4R (0.33) MC4RMC5RMC3RMC1RHTT
SCHEMBL2315649 0.87 MC1R (0.41) MC4RMC5RMC3RMC1RREN
SCHEMBL2318633 0.86 REN (0.31) REN
SCHEMBL2315161 0.85 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL16447753 0.85 TP53 (0.34) MC4RMC5RMC3RMC1RHTT
SCHEMBL15273376 0.85 TP53 (0.34) MC4RMC5RMC3RMC1RHTT
SCHEMBL16447725 0.85 MC4R (0.36) MC4RMC5RMC3RMC1RHTT
SCHEMBL15273491 0.85 MC4R (0.36) MC4RMC5RMC3RMC1RHTT
SCHEMBL1310684 0.83 MC4R (0.40) 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 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