SCHEMBL1728628

SCHEMBL1728628

CN(C)CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4F)cc3)c2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.51
LTA4H P09960 2/20 0.49
MAPK14 Q16539 1/20 0.45
CACNA1B Q00975 4/20 0.43
CACNA1H O95180 3/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KCNH2 Q12809 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 1/20 0.41

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
SCHEMBL1728643 0.87 MCHR1 (0.52) MCHR1LTA4HMAPK14CACNA1BCACNA1H
SCHEMBL1728515 0.87 MCHR1 (0.52) MCHR1LTA4HMAPK14CACNA1BCACNA1H
SCHEMBL1727319 0.87 LTA4H (0.51) MCHR1LTA4HMAPK14CACNA1BCACNA1H
SCHEMBL1729494 0.86 MCHR1 (0.51) MCHR1LTA4HMAPK14CACNA1BCACNA1H
SCHEMBL1728669 0.86 LTA4H (0.68) MCHR1LTA4HMAPK14CACNA1BCYP1A2
SCHEMBL1727393 0.83 LTA4H (0.52) MCHR1LTA4HMAPK14CACNA1BCACNA1H
SCHEMBL1729490 0.81 MAPK14 (0.56) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL6082151 0.81 MCHR1 (0.60) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL1728527 0.80 MCHR1 (0.51) MCHR1LTA4HMAPK14CYP1A2CYP2D6
SCHEMBL6081632 0.79 MCHR1 (0.52) MCHR1LTA4HMAPK14CYP1A2CYP2D6

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