SCHEMBL2364150

SCHEMBL2364150

CCCC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)NCCc2cscn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.42
MC4R P32245 13/20 0.41
MC5R P33032 13/20 0.41
MC3R P41968 10/20 0.41
MC1R Q01726 10/20 0.41
KMT2A Q03164 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CACNA1B Q00975 1/20 0.37

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
SCHEMBL15016822 0.88 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL1309343 0.88 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL1324259 0.88 MC4R (0.41) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1311389 0.87 MC4R (0.43) MC4RMC5RMC3RMC1RKMT2A
Trifluoroacetic Acid SCHEMBL1308833 0.85 MC4R (0.44) MC4RMC5RMC3RMC1R
SCHEMBL2320057 0.84 MC4R (0.41) MC4RMC5RMC3RMC1RHTT
SCHEMBL15272893 0.84 MC4R (0.44) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1309703 0.84 MC4R (0.44) MC4RMC5RMC3RMC1RKMT2A
SCHEMBL1308356 0.84 MC1R (0.56) RENMC4RMC5RMC3RMC1R
SCHEMBL1308793 0.84 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012131090-A1 METHOD FOR TREATMENT OF XERODERMA PIGMENTOSUM GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-10-04 WO disclosed
EP-2352729-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2011-08-10 EP disclosed
WO-2010052256-A1 MELANOCORTIN RECEPTOR ANTAGONIST COMPOUNDS, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2010-05-14 WO disclosed