SCHEMBL3694907

SCHEMBL3694907

CCCOC1(C2CCCCC2)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1.CCOC(=O)C1(CC)CCN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)NCCc2c[nH]cn2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MC4R P32245 9/20 0.38
MC1R Q01726 8/20 0.38
MC5R P33032 5/20 0.38
MC3R P41968 5/20 0.38
ALDH1A1 P00352 5/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 4/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 3/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL1309192 0.93 MC4R (0.41) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1309066 0.90 MC4R (0.41) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1325428 0.90 MC4R (0.40) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1311203 0.90 MC4R (0.41) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL1308853 0.89 MC4R (0.42) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL3696936 0.89 MC4R (0.40) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL3686987 0.89 MC4R (0.39) MC4RMC1RMC5RMC3R
SCHEMBL1325224 0.88 MC4R (0.40) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL15703970 0.87 MC4R (0.40) MC4RMC1RMC5RMC3RALDH1A1
SCHEMBL15704112 0.87 MC4R (0.39) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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