SCHEMBL13844613

SCHEMBL13844613

CC[C@H]1C[C@@H](NC(C)=O)CCN1Cc1ccc(Oc2nc3c(Cl)cccc3s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 20/20 0.56
▸ KCNH2 Q12809 8/20 0.56

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
SCHEMBL12245705 0.93 LTA4H (0.57) LTA4HKCNH2
SCHEMBL12677360 0.91 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12244452 0.88 LTA4H (0.73) LTA4HKCNH2
SCHEMBL2535695 0.82 LTA4H (0.73) LTA4HKCNH2
SCHEMBL1902582 0.82 LTA4H (0.73) LTA4HKCNH2
SCHEMBL12222627 0.82 LTA4H (0.73) LTA4HKCNH2
SCHEMBL12244442 0.81 LTA4H (0.66) LTA4HKCNH2
SCHEMBL12677392 0.81 LTA4H (0.59) LTA4HKCNH2
SCHEMBL13844668 0.80 LTA4H (0.62) LTA4HKCNH2
SCHEMBL12642599 0.78 LTA4H (0.71) 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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