SCHEMBL2155356

SCHEMBL2155356

CCCCCC1(c2ccccc2OC)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1.CCCCOC1(c2ccccc2C)CN(C(=O)[C@@H](Cc2ccc(OC)cc2)NC(=O)CCc2[nH]cnc2C)C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 12/20 0.62
MC1R Q01726 9/20 0.62
MC5R P33032 1/20 0.35
MC3R P41968 1/20 0.35
PSMB5 P28074 1/20 0.31
PTPN1 P18031 1/20 0.31
YAP1 P46937 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
HRH2 P25021 2/20 0.30
HRH1 P35367 2/20 0.30

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
SCHEMBL2154756 0.88 MC4R (0.68) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL1310458 0.88 MC1R (0.76) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL20450370 0.88 MC1R (0.76) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL20450360 0.88 MC1R (0.78) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1310839 0.88 MC1R (0.78) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1310683 0.88 MC4R (0.55) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL20450358 0.88 MC4R (0.55) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL1310201 0.88 MC1R (0.78) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450363 0.88 MC1R (0.73) MC4RMC1RMC5RMC3RPSMB5
SCHEMBL1311193 0.88 MC1R (0.73) MC4RMC1RMC5RMC3RPSMB5

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