SCHEMBL3689944

SCHEMBL3689944

CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)NCCc2c[nH]cn2)CC1.CCOC(=O)C1(C2CCCCC2)CCN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)NCCCc2cnc[nH]2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.41
MC1R Q01726 9/20 0.41
MC5R P33032 8/20 0.41
MC3R P41968 8/20 0.41
SSTR2 P30874 1/20 0.37
SSTR4 P31391 1/20 0.37
GBA1 P04062 1/20 0.37
FNTA P49354 1/20 0.35
PGGT1B P53609 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HTT P42858 1/20 0.35
CYP51A1 Q16850 1/20 0.34
P2RY12 Q9H244 1/20 0.34
NMT2 O60551 1/20 0.34
NMT1 P30419 1/20 0.34
REN P00797 1/20 0.34

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
SCHEMBL1324264 0.89 MC1R (0.47) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1324267 0.89 MC1R (0.47) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1308385 0.89 MC4R (0.43) MC4RMC1RMC5RMC3R
SCHEMBL1308389 0.89 MC4R (0.43) MC4RMC1RMC5RMC3R
SCHEMBL1325265 0.89 MC4R (0.44) MC4RMC1RMC5RMC3R
SCHEMBL1325267 0.89 MC4R (0.44) MC4RMC1RMC5RMC3R
SCHEMBL1307814 0.88 MC4R (0.43) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1307815 0.88 MC4R (0.43) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1310141 0.88 MC4R (0.43) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL2315290 0.88 MC4R (0.43) MC4RMC1RMC5RMC3RALDH1A1

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-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 claimed