SCHEMBL13844786

SCHEMBL13844786

CCC1C[C@@H](NC(N)=O)CCN1CCOc1ccc(Oc2nc3c(F)cccc3s2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 20/20 0.44
▸ KCNH2 Q12809 5/20 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
SCHEMBL1904212 0.83 LTA4H (0.62) LTA4HKCNH2
SCHEMBL12222902 0.83 LTA4H (0.62) LTA4HKCNH2
SCHEMBL12223057 0.83 LTA4H (0.62) LTA4HKCNH2
SCHEMBL12677360 0.82 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12642605 0.79 LTA4H (0.70) LTA4HKCNH2
SCHEMBL13649140 0.79 LTA4H (0.70) LTA4HKCNH2
SCHEMBL12223090 0.76 LTA4H (0.73) LTA4HKCNH2
SCHEMBL12243816 0.76 LTA4H (0.73) LTA4HKCNH2
SCHEMBL1907900 0.76 LTA4H (0.73) LTA4HKCNH2
SCHEMBL13844668 0.76 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
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
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