SCHEMBL20450397

SCHEMBL20450397

CCCCOC1(c2ccccc2)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)C(Cc2c[nH]cn2)NS(C)(=O)=O)C1.CCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)CC(C)c2c[nH]cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.55
MC4R P32245 9/20 0.55
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
PTPN1 P18031 4/20 0.32
MMP9 P14780 4/20 0.32
MMP3 P08254 3/20 0.32
MMP8 P22894 2/20 0.32
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
MMP1 P03956 2/20 0.31
MMP2 P08253 2/20 0.31
PSMB8 P28062 1/20 0.30

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
SCHEMBL20450445 0.89 MC1R (0.52) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1312766 0.89 MC1R (0.52) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1310622 0.88 MC1R (0.65) MC1RMC4RMC5RMC3RITGB3
Butyramide SCHEMBL2153673 0.85 MC1R (0.48) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL20450421 0.83 MC1R (0.64) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1312150 0.83 MC1R (0.64) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1324983 0.82 MC1R (0.64) MC1RMC4RMC5RMC3RPTPN1
SCHEMBL1310203 0.82 MC1R (0.65) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450424 0.82 MC1R (0.65) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1325753 0.81 MC1R (0.64) MC1RMC4RMC5RMC3RPTPN1

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
EP-2342194-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP disclosed