SCHEMBL13844690

SCHEMBL13844690

CC(=O)N1CC2CC2C1CNCCc1ccc(Oc2nc3c(Cl)cccc3s2)cc1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.43
KCNH2 Q12809 7/20 0.39
EPHX2 P34913 1/20 0.36

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
SCHEMBL13844734 0.87 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL13844827 0.83 LTA4H (0.42) LTA4HKCNH2EPHX2
SCHEMBL13844731 0.80 LTA4H (0.45) LTA4HKCNH2EPHX2
SCHEMBL13844809 0.79 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL13844691 0.78 LTA4H (0.49) LTA4HKCNH2EPHX2
SCHEMBL13844807 0.78 LTA4H (0.47) LTA4HKCNH2EPHX2
SCHEMBL13844634 0.78 LTA4H (0.47) LTA4HKCNH2EPHX2
SCHEMBL13844795 0.77 LTA4H (0.47) LTA4HKCNH2EPHX2
SCHEMBL1904259 0.77 LTA4H (0.72) LTA4HKCNH2
SCHEMBL1904260 0.77 LTA4H (0.72) 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