SCHEMBL1729072

SCHEMBL1729072

CN(C)CCOc1ccc(-n2ccn(-c3ccc(OCC4CCC4)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
MAPK14 Q16539 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
PARP15 Q460N3 4/20 0.41
PARP10 Q53GL7 4/20 0.41
PARP2 Q9UGN5 1/20 0.41
LTA4H P09960 2/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2B P29275 1/20 0.38
KCNH2 Q12809 1/20 0.38
GRM2 Q14416 1/20 0.38

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
SCHEMBL1728609 0.96 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1727554 0.95 MCHR1 (0.49) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1728662 0.83 MCHR1 (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1728688 0.83 LSS (0.48) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1727580 0.83 LMNA (0.46) MCHR1MAPK14
SCHEMBL1728665 0.82 HPGD (0.44) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1729124 0.82 LSS (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1729760 0.82 LSS (0.47) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6081903 0.81 MCHR1 (0.54) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL6080985 0.81 MCHR1 (0.54) MCHR1MAPK14CYP1A2CYP2D6CYP2C9

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