SCHEMBL13844746

SCHEMBL13844746

O=C(I)N1CC2CN(Cc3ccc(Oc4nc5ccccc5s4)cc3F)CC2C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.52
EPHX2 P34913 5/20 0.52
KCNH2 Q12809 3/20 0.48

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
SCHEMBL1908106 0.91 LTA4H (0.52) LTA4HEPHX2KCNH2
SCHEMBL1904711 0.80 LTA4H (0.45) LTA4HEPHX2KCNH2
SCHEMBL2535005 0.78 LTA4H (0.51) LTA4HEPHX2KCNH2
SCHEMBL1906619 0.78 LTA4H (0.55) LTA4HEPHX2KCNH2
SCHEMBL2532751 0.78 LTA4H (0.55) LTA4HEPHX2KCNH2
SCHEMBL1907785 0.78 LTA4H (0.51) LTA4HEPHX2KCNH2
SCHEMBL3628094 0.76 LTA4H (0.67) LTA4HKCNH2
SCHEMBL1904273 0.76 LTA4H (0.61) LTA4HEPHX2KCNH2
SCHEMBL743053 0.76 LTA4H (0.51) LTA4HEPHX2KCNH2
SCHEMBL1906910 0.76 LTA4H (0.68) 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
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed