Sugi Predict

Sugi Predict / Compounds / SCHEMBL2154970

SCHEMBL2154970

SCHEMBL2154970

CCCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.COc1ccc(C[C@H](NC(=O)CCc2c[nH]cn2)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 9/20 0.71
▸ MC4R P32245 9/20 0.71
▸ ITGB3 P05106 3/20 0.37
▸ ITGA2B P08514 3/20 0.37
▸ MC5R P33032 1/20 0.36
▸ MC3R P41968 1/20 0.36
▸ YAP1 P46937 5/20 0.36
▸ PSMB5 P28074 1/20 0.35

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
SCHEMBL2159537 0.97 MC1R (0.66) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL1310154 0.95 MC1R (0.63) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL1312855 0.95 MC1R (0.63) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL20450366 0.95 MC1R (0.63) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL1310201 0.95 MC1R (0.78) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL1310839 0.95 MC1R (0.78) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL20450360 0.95 MC1R (0.78) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL2154559 0.94 MC1R (0.62) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL1310458 0.94 MC1R (0.76) MC1RMC4RITGB3ITGA2BMC5R
SCHEMBL20450370 0.94 MC1R (0.76) MC1RMC4RITGB3ITGA2BMC5R

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