SCHEMBL1728609

SCHEMBL1728609

CN(C)CCOc1ccc(-n2ccn(-c3ccc(OCC4CCCCC4)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.47
HRH3 Q9Y5N1 2/20 0.43
MAPK14 Q16539 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
PARP15 Q460N3 4/20 0.42
PARP10 Q53GL7 4/20 0.42
GRM2 Q14416 3/20 0.42
ESR1 P03372 1/20 0.41
HPGD P15428 1/20 0.40
PIK3CA P42336 1/20 0.38
PRKDC P78527 1/20 0.38
KCNH2 Q12809 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
SCHEMBL1729072 0.96 MCHR1 (0.47) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1727554 0.94 MCHR1 (0.49) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1729124 0.86 LSS (0.47) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1729760 0.86 LSS (0.47) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1728688 0.85 LSS (0.48) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1728665 0.84 HPGD (0.44) MCHR1MAPK14CYP1A2CYP2D6CYP2C9
SCHEMBL1728662 0.82 MCHR1 (0.47) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL1727580 0.82 LMNA (0.46) MCHR1MAPK14HPGD
SCHEMBL6081471 0.82 HRH3 (0.52) MCHR1HRH3MAPK14CYP1A2CYP2D6
SCHEMBL6080985 0.80 MCHR1 (0.54) MCHR1HRH3MAPK14CYP1A2CYP2D6

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