Sugi Predict

Sugi Predict / Compounds / SCHEMBL3686987

SCHEMBL3686987

SCHEMBL3686987

CCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1.COc1ccc(CC(NC(=O)NCCc2c[nH]cn2)C(=O)N2CCC(C(C)=O)(C3CCCCC3)CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 19/20 0.39
▸ MC5R P33032 18/20 0.39
▸ MC3R P41968 16/20 0.39
▸ MC1R Q01726 9/20 0.39

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
SCHEMBL1309192 0.96 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL3696936 0.95 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL1309663 0.93 MC4R (0.43) MC4RMC5RMC3RMC1R
SCHEMBL1309066 0.92 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL1325428 0.92 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL1325224 0.91 MC4R (0.40) MC4RMC5RMC3RMC1R
SCHEMBL3692291 0.90 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL1311203 0.90 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL3690118 0.90 MC4R (0.39) MC4RMC5RMC3RMC1R
SCHEMBL1310996 0.89 MC4R (0.42) 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 claimed