SCHEMBL2033371

SCHEMBL2033371

O=C1CCCN1C1CCN(CCOc2cccc(Oc3nc4cccnc4s3)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.67
KCNH2 Q12809 6/20 0.65
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL1891347 0.92 LTA4H (0.78) LTA4HKCNH2
SCHEMBL1886153 0.85 LTA4H (0.77) LTA4HKCNH2
SCHEMBL1891796 0.83 LTA4H (0.76) LTA4HKCNH2
SCHEMBL2169624 0.80 LTA4H (1.00) LTA4HKCNH2
SCHEMBL1886913 0.79 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2167591 0.78 LTA4H (1.00) LTA4HKCNH2
SCHEMBL1008015 0.76 LTA4H (0.79) LTA4HKCNH2
SCHEMBL2032184 0.75 LTA4H (0.70) LTA4HKCNH2
SCHEMBL1895734 0.74 LTA4H (0.72) LTA4HKCNH2
SCHEMBL1888687 0.73 LTA4H (0.62) LTA4HKCNH2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 EP disclosed