Sugi Predict

Sugi Predict / Compounds / SCHEMBL2319907

SCHEMBL2319907

SCHEMBL2319907

CCCOC1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(F)cc2)N(C(=O)NCCc2c[nH]cn2)N(C(=O)NCCc2c[nH]cn2)[C@H](Cc2ccc(Cl)cc2)C(=O)N2CCC(OCCC)(C3CCCCC3)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MC4R P32245 20/20 0.36
▸ MC5R P33032 15/20 0.36
▸ MC3R P41968 15/20 0.36
▸ MC1R Q01726 9/20 0.36

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
SCHEMBL2319911 0.88 MC4R (0.42) MC4RMC5RMC3RMC1R
SCHEMBL2318633 0.87 REN (0.31) —
SCHEMBL3686984 0.86 MC4R (0.33) MC4RMC5RMC3RMC1R
SCHEMBL16447689 0.84 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL15016557 0.84 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL1308338 0.84 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL1309552 0.84 MC4R (0.45) MC4RMC5RMC3RMC1R
SCHEMBL15704177 0.84 REN (0.33) —
SCHEMBL15017372 0.84 REN (0.33) —
SCHEMBL16447753 0.83 TP53 (0.34) 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