SCHEMBL2154173

SCHEMBL2154173

CCC(=O)Nc1c[nH]cn1.CCCCCC1(c2cccc(F)c2)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 10/20 0.45
MC1R Q01726 9/20 0.45
MC5R P33032 1/20 0.37
MC3R P41968 1/20 0.37
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC10 Q969S8 1/20 0.32
HDAC11 Q96DB2 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
ALB P02768 1/20 0.32
IL2 P60568 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
SCHEMBL20450402 0.94 MC4R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL1310703 0.94 MC4R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL2154124 0.90 MC4R (0.44) MC4RMC1RMC5RMC3R
SCHEMBL2156021 0.90 MC4R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL1309688 0.87 MC1R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL20450378 0.87 MC1R (0.49) MC4RMC1RMC5RMC3RKMT2A
SCHEMBL20450393 0.87 MC4R (0.53) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1310742 0.87 MC4R (0.53) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL2154280 0.87 MC4R (0.53) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1312726 0.86 MC4R (0.51) 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 2 patents. 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 claimed
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