SCHEMBL1728658

SCHEMBL1728658

CN(C)CCOc1ccc(-n2ccn(-c3ccc(Cc4ccccc4)cc3)c2=O)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.70
MCHR1 Q99705 4/20 0.64
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTT P42858 1/20 0.52
KCNH2 Q12809 3/20 0.52
HRH3 Q9Y5N1 1/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
FGFR1 P11362 1/20 0.46
SRC P12931 1/20 0.46
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46

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
SCHEMBL1728493 0.90 MCHR1 (0.78) LTA4HMCHR1KCNH2FGFR1SRC
SCHEMBL1728491 0.88 LTA4H (0.52) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL6082151 0.87 MCHR1 (0.60) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL1728669 0.87 LTA4H (0.68) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL1727382 0.84 MCHR1 (0.57) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL13588339 0.84 LTA4H (1.00) LTA4HCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6081903 0.83 MCHR1 (0.54) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL6080985 0.83 MCHR1 (0.54) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL6081522 0.83 ALDH1A1 (0.55) LTA4HMCHR1CYP1A2CYP2D6CYP2C9
SCHEMBL6081331 0.82 MCHR1 (0.53) LTA4HMCHR1CYP1A2CYP2D6CYP2C9

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-1551810-B1 DIARYL-SUBSTITUTED CYCLIC UREA DERIVATIVES HAVING AN MCH-MODULATORY EFFECT SANOFI AVENTIS DEUTSCHLAND (DE) 2011-11-30 EP disclosed
US-7141561-B2 Substituted diaryl heterocycles, process for their preparation and their use as medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-28 US disclosed