SCHEMBL2154522

SCHEMBL2154522

CCCCCC1(c2ccc(Cl)c(Cl)c2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.CCCCCC1(c2ccccc2)CN(C(=O)[C@@H](Cc2ccc(F)c(F)c2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.45
MC1R Q01726 9/20 0.45
MC5R P33032 1/20 0.38
MC3R P41968 1/20 0.38
FPR1 P21462 4/20 0.37
FPR2 P25090 4/20 0.37
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
YAP1 P46937 1/20 0.34
GGT1 P19440 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 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
SCHEMBL20450409 0.92 MC1R (0.48) MC4RMC1RMC5RMC3RFPR1
SCHEMBL1311875 0.92 MC1R (0.48) MC4RMC1RMC5RMC3RFPR1
SCHEMBL1312838 0.90 MC4R (0.43) MC4RMC1RMC5RMC3R
SCHEMBL20450393 0.90 MC4R (0.53) MC4RMC1RMC5RMC3RCHRM5
SCHEMBL1310742 0.90 MC4R (0.53) MC4RMC1RMC5RMC3RCHRM5
SCHEMBL20450429 0.90 MC4R (0.43) MC4RMC1RMC5RMC3R
SCHEMBL2154280 0.90 MC4R (0.53) MC4RMC1RMC5RMC3RCHRM5
SCHEMBL1311002 0.88 MC4R (0.49) MC4RMC1RMC5RMC3R
SCHEMBL20450420 0.88 MC4R (0.49) MC4RMC1RMC5RMC3R
SCHEMBL1311346 0.88 MC4R (0.54) MC4RMC1RMC5RMC3RFPR1

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