SCHEMBL1727504

SCHEMBL1727504

CN(CCOc1ccc(-n2ccn(-c3ccc(Oc4ccccc4)cc3)c2=O)cc1)C1CCN(Cc2ccccc2)C1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.49
CHRM4 P08173 7/20 0.46
UTS2R Q9UKP6 2/20 0.43
MCHR1 Q99705 3/20 0.43
KCNH2 Q12809 1/20 0.41
SLC2A1 P11166 1/20 0.41
MCHR2 Q969V1 1/20 0.40

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
SCHEMBL3035979 0.82 LTA4H (0.70) LTA4HCHRM4UTS2RSLC2A1
SCHEMBL3035981 0.82 LTA4H (0.70) LTA4HCHRM4UTS2RSLC2A1
SCHEMBL1729486 0.82 HRH3 (0.48) LTA4HMCHR1KCNH2MCHR2
SCHEMBL1728816 0.79 KDM4E (0.47) LTA4HMCHR1KCNH2
SCHEMBL1727502 0.78 MAOB (0.48) LTA4HCHRM4SLC2A1
SCHEMBL1728669 0.77 LTA4H (0.68) LTA4HMCHR1KCNH2
SCHEMBL1728748 0.76 MCHR1 (0.66) LTA4HMCHR1KCNH2
SCHEMBL1728610 0.75 KCNH2 (0.57) LTA4HMCHR1KCNH2
SCHEMBL1728694 0.74 KDM4E (0.56) LTA4HMCHR1KCNH2MCHR2
SCHEMBL6081884 0.74 TMEM97 (0.60) LTA4HMCHR1KCNH2

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