SCHEMBL2154100

SCHEMBL2154100

CCCCCC1(c2ccc(F)cc2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.CCCCCC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.56
MC1R Q01726 9/20 0.56
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
KMT2A Q03164 1/20 0.36
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
YAP1 P46937 1/20 0.33
ITGB3 P05106 2/20 0.33
ITGB1 P05556 2/20 0.33
ITGAV P06756 2/20 0.33
ITGA5 P08648 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 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
SCHEMBL2154107 0.94 MC4R (0.58) MC4RMC1RMC5RMC3REDNRB
SCHEMBL20450381 0.94 MC4R (0.62) MC4RMC1RMC5RMC3REDNRB
SCHEMBL1311323 0.94 MC4R (0.62) MC4RMC1RMC5RMC3REDNRB
SCHEMBL20450378 0.94 MC1R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL1309688 0.94 MC1R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL20450438 0.90 MC4R (0.54) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL1310559 0.90 MC4R (0.54) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL1310742 0.90 MC4R (0.53) MC4RMC1RMC5RMC3RITGB3
SCHEMBL20450393 0.90 MC4R (0.53) MC4RMC1RMC5RMC3RITGB3
SCHEMBL2154480 0.90 MC4R (0.48) MC4RMC1RMC5RMC3RKMT2A

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