SCHEMBL13844668

SCHEMBL13844668

CC[C@H]1C[C@@H](NC(N)=O)CCN1Cc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 20/20 0.62
▸ KCNH2 Q12809 9/20 0.62

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
SCHEMBL12244452 0.92 LTA4H (0.73) LTA4HKCNH2
SCHEMBL13844808 0.85 LTA4H (0.43) LTA4HKCNH2
SCHEMBL4693675 0.84 LTA4H (0.82) LTA4HKCNH2
SCHEMBL12245705 0.81 LTA4H (0.57) LTA4HKCNH2
SCHEMBL12222614 0.81 LTA4H (0.71) LTA4HKCNH2
SCHEMBL1906780 0.81 LTA4H (0.71) LTA4HKCNH2
SCHEMBL12240846 0.81 LTA4H (0.71) LTA4HKCNH2
SCHEMBL2539190 0.81 LTA4H (0.71) LTA4HKCNH2
SCHEMBL13844613 0.80 LTA4H (0.56) LTA4HKCNH2
SCHEMBL13844666 0.80 LTA4H (0.64) 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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