SCHEMBL2154189

SCHEMBL2154189

CC#CCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.CC#CCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2nc[nH]c2C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC1R Q01726 9/20 0.58
MC4R P32245 9/20 0.58
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 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

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
SCHEMBL1310472 0.94 MC1R (0.60) MC1RMC4RMC5RMC3RHTR3E
SCHEMBL1310087 0.94 MC1R (0.64) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL2154169 0.89 MC1R (0.48) MC1RMC4RMC5RMC3R
SCHEMBL1310055 0.86 MC1R (0.68) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL1310136 0.86 MC1R (0.68) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL20450362 0.86 MC1R (0.68) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL1310172 0.85 MC1R (0.72) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL2154739 0.85 MC1R (0.72) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL20450376 0.85 MC1R (0.72) MC1RMC4RMC5RMC3RHDAC3
SCHEMBL1312417 0.85 MC1R (0.72) MC1RMC4RMC5RMC3RHDAC3

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 claimed