SCHEMBL1729124

SCHEMBL1729124

CN(C)CCOc1ccc(-n2ccn(-c3ccc(OC4CCCCC4)cc3)c2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.47
MCHR1 Q99705 2/20 0.47
HRH3 Q9Y5N1 5/20 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
MAPT P10636 1/20 0.41
KCNH2 Q12809 1/20 0.40
PIK3CA P42336 1/20 0.38
PRKDC P78527 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
SCHEMBL1729760 1.00 LSS (0.47) LSSMCHR1HRH3MAPK14CYP1A2
SCHEMBL1728688 0.99 LSS (0.48) LSSMCHR1HRH3MAPK14CYP1A2
SCHEMBL1729087 0.93 MAPK14 (0.51) LSSMCHR1HRH3MAPK14CYP1A2
SCHEMBL1727629 0.90 LSS (0.47) LSSMCHR1HRH3MAPK14CYP1A2
SCHEMBL1728571 0.89 LSS (0.41) LSSMCHR1HRH3MAPK14MAPT
SCHEMBL6081167 0.88 MCHR1 (0.42) LSSMCHR1HRH3MAPK14MAPT
SCHEMBL6080844 0.87 MCHR1 (0.41) LSSMCHR1HRH3MAPK14MAPT
SCHEMBL1729099 0.87 MAPT (0.45) LSSMCHR1HRH3MAPTKCNH2
SCHEMBL1728814 0.86 HTR2C (0.44) MCHR1HRH3
SCHEMBL1728609 0.86 MCHR1 (0.47) 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