Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319911

SCHEMBL2319911

SCHEMBL2319911

CCCOC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)NCCc2c[nH]cn2)CC1.CCCOC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.42
▸ MC5R P33032 16/20 0.42
▸ MC3R P41968 14/20 0.42
▸ MC1R Q01726 8/20 0.42

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
SCHEMBL16447689 0.97 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL15016557 0.97 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL1308338 0.97 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL1309552 0.97 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL15017064 0.90 MEN1 (0.41) MC4RMC5RMC3RMC1R
SCHEMBL1308668 0.90 MEN1 (0.41) MC4RMC5RMC3RMC1R
SCHEMBL1309192 0.90 MC4R (0.41) MC4RMC5RMC3RMC1R
SCHEMBL2319907 0.88 MC4R (0.36) MC4RMC5RMC3RMC1R
SCHEMBL12814558 0.87 MC4R (0.38) MC4RMC5RMC3RMC1R
SCHEMBL1309066 0.86 MC4R (0.41) 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 2 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
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