SCHEMBL1729486

SCHEMBL1729486

CN(C)C1CCN(CCOc2ccc(-n3ccn(-c4ccc(Oc5ccccc5)cc4)c3=O)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
LTA4H P09960 4/20 0.46
KDM1A O60341 2/20 0.45
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
MCHR1 Q99705 3/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR2 Q969V1 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL6081629 0.85 HRH3 (0.47) HRH3HRH2HRH1KDM1AMCHR1
SCHEMBL1727661 0.85 LTA4H (0.60) HRH3HRH2HRH1LTA4HMCHR1
SCHEMBL6081461 0.85 HRH3 (0.52) HRH3LTA4HKDM1ASIGMAR1MCHR1
SCHEMBL1728694 0.84 KDM4E (0.56) HRH3LTA4HSIGMAR1MCHR1KCNH2
SCHEMBL6082585 0.83 LTA4H (0.46) HRH3LTA4HMCHR1KCNH2MCHR2
SCHEMBL1728768 0.83 LTA4H (0.50) HRH3HRH1LTA4HSIGMAR1MCHR1
SCHEMBL6081556 0.83 LTA4H (0.50) HRH3HRH1LTA4HSIGMAR1MCHR1
SCHEMBL1727388 0.83 LTA4H (0.50) HRH3HRH1LTA4HSIGMAR1MCHR1
SCHEMBL1728503 0.82 LTA4H (0.54) HRH3LTA4HSIGMAR1MCHR1KCNH2
SCHEMBL6081884 0.82 TMEM97 (0.60) HRH3LTA4HSIGMAR1MCHR1KCNH2

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