SCHEMBL2154124

SCHEMBL2154124

CCC(=O)Nc1c[nH]cn1.CCCCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.44
MC1R Q01726 9/20 0.44
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
GGT1 P19440 1/20 0.34
FPR1 P21462 2/20 0.33
FPR2 P25090 2/20 0.33
CYP51A1 Q16850 1/20 0.32
YAP1 P46937 1/20 0.32

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
SCHEMBL20450409 0.94 MC1R (0.48) MC4RMC1RMC5RMC3RGGT1
SCHEMBL1311875 0.94 MC1R (0.48) MC4RMC1RMC5RMC3RGGT1
SCHEMBL2154173 0.90 MC4R (0.45) MC4RMC1RMC5RMC3R
SCHEMBL20450420 0.88 MC4R (0.49) MC4RMC1RMC5RMC3RCYP51A1
SCHEMBL1311002 0.88 MC4R (0.49) MC4RMC1RMC5RMC3RCYP51A1
SCHEMBL2156021 0.87 MC4R (0.49) MC4RMC1RMC5RMC3R
SCHEMBL2154522 0.87 MC4R (0.45) MC4RMC1RMC5RMC3RGGT1
SCHEMBL1309688 0.86 MC1R (0.49) MC4RMC1RMC5RMC3R
SCHEMBL20450378 0.86 MC1R (0.49) MC4RMC1RMC5RMC3R
SCHEMBL20450393 0.86 MC4R (0.53) MC4RMC1RMC5RMC3R

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