SCHEMBL14360686

SCHEMBL14360686

COc1ccc(C[C@@H](NC(=O)CCc2nc[nH]c2C)C(=O)N2CC(OCC3CC3)(c3ccccc3C)C2)cc1.Cc1ccccc1C1(O)CN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.51
MC4R P32245 9/20 0.51
YAP1 P46937 4/20 0.40
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NTSR1 P30989 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37
P2RX7 Q99572 2/20 0.34
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33

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
SCHEMBL14360239 0.92 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL14360771 0.92 MC1R (0.59) MC1RMC4RYAP1MC5RMC3R
SCHEMBL1310689 0.89 MC1R (0.58) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450359 0.89 MC1R (0.58) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450426 0.85 MC1R (0.54) MC1RMC4RYAP1MC5RMC3R
SCHEMBL20450428 0.85 MC1R (0.54) MC1RMC4RYAP1MC5RMC3R
SCHEMBL1311611 0.82 MC1R (0.59) MC1RMC4RYAP1KMT2AMC5R
SCHEMBL20450379 0.82 MC1R (0.59) MC1RMC4RYAP1KMT2AMC5R
SCHEMBL1310472 0.81 MC1R (0.60) MC1RMC4RMC5RMC3R
SCHEMBL1310154 0.80 MC1R (0.63) 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-2726478-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2014-05-07 EP disclosed
WO-2013001030-A1 OXAZETIDINE DERIVATIVES, PROCESS FOR PREPARING THEM AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-01-03 WO disclosed