SCHEMBL1728571

SCHEMBL1728571

CC(C)N(C)CCOc1ccc(-n2ccn(-c3ccc(OC4CCCC4)cc3)c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.41
MCHR1 Q99705 4/20 0.41
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 6/20 0.41
ACACB O00763 3/20 0.38
MAPT P10636 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
MAPK14 Q16539 1/20 0.37

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
SCHEMBL1728688 0.90 LSS (0.48) LSSMCHR1KCNH2HRH3MAPT
SCHEMBL1729124 0.89 LSS (0.47) LSSMCHR1KCNH2HRH3MAPT
SCHEMBL1729760 0.89 LSS (0.47) LSSMCHR1KCNH2HRH3MAPT
SCHEMBL1729087 0.86 MAPK14 (0.51) LSSMCHR1HRH3MAPK14
SCHEMBL6081167 0.86 MCHR1 (0.42) LSSMCHR1KCNH2HRH3ACACB
SCHEMBL1729099 0.85 MAPT (0.45) LSSMCHR1KCNH2HRH3ACACB
SCHEMBL6080844 0.85 MCHR1 (0.41) LSSMCHR1KCNH2HRH3ACACB
SCHEMBL1727849 0.83 KDM4E (0.43) HRH3ACACB
SCHEMBL1728856 0.81 HRH3 (0.42) MCHR1HRH3ADORA2AADORA2B
SCHEMBL1727629 0.81 LSS (0.47) LSSMCHR1KCNH2HRH3MAPT

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