SCHEMBL20450359

SCHEMBL20450359

COc1ccc(CC(NC(=O)CCc2nc[nH]c2C)C(=O)N2CC(OCC3CCC3)(c3ccccc3C)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.58
MC4R P32245 9/20 0.58
YAP1 P46937 7/20 0.38
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
CYP51A1 Q16850 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
SCHEMBL1310689 1.00 MC1R (0.58) MC1RMC4RYAP1MC5RMC3R
SCHEMBL14360239 0.97 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL14360771 0.97 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450426 0.95 MC1R (0.54) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450428 0.95 MC1R (0.54) MC1RMC4RYAP1MC5RMC3R
SCHEMBL14360686 0.89 MC1R (0.51) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450379 0.88 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL1311611 0.88 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL1310472 0.87 MC1R (0.60) MC1RMC4RMC5RMC3RHTR3E
SCHEMBL1313222 0.86 MC1R (0.61) MC1RMC4RYAP1MC5RMC3R

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 2 patents. 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
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