SCHEMBL20450417

SCHEMBL20450417

CCCCCC1(c2ccccc2Cl)CN(C(=O)C(Cc2ccc(OC)cc2)NC(=O)CCc2c[nH]cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 11/20 0.55
MC1R Q01726 9/20 0.55
MC5R P33032 1/20 0.39
MC3R P41968 1/20 0.39
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
CYP51A1 Q16850 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
PTPN1 P18031 1/20 0.35
PSMB5 P28074 1/20 0.35

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
SCHEMBL1311410 1.00 MC4R (0.55) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL2154254 0.96 MC4R (0.52) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450447 0.94 MC4R (0.52) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1311323 0.93 MC4R (0.62) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450381 0.93 MC4R (0.62) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1310683 0.93 MC4R (0.55) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450358 0.93 MC4R (0.55) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL1310559 0.92 MC4R (0.54) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450438 0.92 MC4R (0.54) MC4RMC1RMC5RMC3RHDAC3
SCHEMBL20450393 0.91 MC4R (0.53) MC4RMC1RMC5RMC3RHDAC3

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-B1 OXOAZETIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2018-08-08 EP claimed