SCHEMBL2154756

SCHEMBL2154756

CCCCCC1(c2ccccc2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.CCCCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.68
MC1R Q01726 9/20 0.68
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
ITGB3 P05106 4/20 0.35
ITGA2B P08514 4/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
EDNRB P24530 1/20 0.34
EDNRA P25101 1/20 0.34
PSMB5 P28074 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
SCHEMBL20450370 0.94 MC1R (0.76) MC4RMC1RMC5RMC3RITGB3
SCHEMBL1310458 0.94 MC1R (0.76) MC4RMC1RMC5RMC3RITGB3
SCHEMBL1310750 0.93 MC1R (0.75) MC4RMC1RMC5RMC3RITGB3
SCHEMBL20450415 0.93 MC1R (0.75) MC4RMC1RMC5RMC3RITGB3
SCHEMBL2154107 0.93 MC4R (0.58) MC4RMC1RMC5RMC3RITGB3
SCHEMBL1310839 0.93 MC1R (0.78) MC4RMC1RMC5RMC3RITGB3
SCHEMBL1310201 0.93 MC1R (0.78) MC4RMC1RMC5RMC3RITGB3
SCHEMBL20450360 0.93 MC1R (0.78) MC4RMC1RMC5RMC3RITGB3
SCHEMBL20450412 0.92 MC4R (0.60) MC4RMC1RMC5RMC3RITGB3
SCHEMBL20450414 0.92 MC4R (0.60) MC4RMC1RMC5RMC3RITGB3

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-A1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-07-13 EP claimed