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Sugi Predict / Compounds / SCHEMBL2159537

SCHEMBL2159537

SCHEMBL2159537

CCCOC1(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 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MC1R Q01726 9/20 0.66
▸ MC4R P32245 9/20 0.66
▸ MC5R P33032 1/20 0.37
▸ MC3R P41968 1/20 0.37
▸ YAP1 P46937 6/20 0.36
▸ ITGB3 P05106 3/20 0.36
▸ ITGA2B P08514 3/20 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
SCHEMBL2154970 0.97 MC1R (0.71) MC1RMC4RMC5RMC3RYAP1
SCHEMBL20450366 0.96 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1312855 0.96 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL1310154 0.96 MC1R (0.63) MC1RMC4RMC5RMC3RYAP1
SCHEMBL2154559 0.95 MC1R (0.62) MC1RMC4RMC5RMC3RYAP1
SCHEMBL2154739 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL20450376 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1312417 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1310172 0.95 MC1R (0.72) MC1RMC4RMC5RMC3RITGB3
SCHEMBL1313222 0.93 MC1R (0.61) MC1RMC4RMC5RMC3RYAP1

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 disclosed