SCHEMBL20450415

SCHEMBL20450415

CCCCCCOC1(c2ccccc2C)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.75
MC4R P32245 9/20 0.75
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
ITGB3 P05106 5/20 0.38
ITGA2B P08514 5/20 0.38
PSMB5 P28074 1/20 0.36
LPAR3 Q9UBY5 1/20 0.36
ENPP2 Q13822 2/20 0.36
ITGB1 P05556 1/20 0.36
ITGA4 P13612 1/20 0.36

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
SCHEMBL1310750 1.00 MC1R (0.75) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450370 0.99 MC1R (0.76) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1310458 0.99 MC1R (0.76) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1310839 0.98 MC1R (0.78) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1310201 0.98 MC1R (0.78) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450360 0.98 MC1R (0.78) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1310172 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450376 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL2154739 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1312417 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3

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 claimed