Sugi Predict

Sugi Predict / Compounds / SCHEMBL2320749

SCHEMBL2320749

SCHEMBL2320749

CCCC(=O)C1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2cnc[nH]2)CC1.CCCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 14/20 0.47
▸ MC4R P32245 14/20 0.47
▸ MC5R P33032 9/20 0.47
▸ MC3R P41968 8/20 0.47
▸ POLB P06746 1/20 0.36
▸ REN P00797 2/20 0.35

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
SCHEMBL1309066 0.90 MC4R (0.41) MC1RMC4RMC5RMC3R
SCHEMBL2315649 0.90 MC1R (0.41) MC1RMC4RMC5RMC3RPOLB
SCHEMBL1308356 0.90 MC1R (0.56) MC1RMC4RMC5RMC3RPOLB
SCHEMBL2315452 0.89 MC1R (0.51) MC1RMC4RMC5RMC3RPOLB
SCHEMBL15016822 0.89 MC4R (0.44) MC1RMC4RMC5RMC3R
SCHEMBL1309343 0.89 MC4R (0.44) MC1RMC4RMC5RMC3R
SCHEMBL1309192 0.87 MC4R (0.41) MC1RMC4RMC5RMC3R
SCHEMBL3686987 0.87 MC4R (0.39) MC1RMC4RMC5RMC3R
SCHEMBL3696936 0.87 MC4R (0.40) MC1RMC4RMC5RMC3R
SCHEMBL2319412 0.86 MC4R (0.41) MC1RMC4RMC5RMC3R

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 4 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
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
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
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 disclosed