SCHEMBL13844827

SCHEMBL13844827

CC(=O)N1CC2CC2C1CNCc1ccc(Oc2nc3c(F)cccc3s2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 17/20 0.42
KCNH2 Q12809 5/20 0.37
EPHX2 P34913 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL13844665 0.84 EPHX2 (0.45) LTA4HKCNH2EPHX2
SCHEMBL13844690 0.83 LTA4H (0.43) LTA4HKCNH2EPHX2
SCHEMBL13844799 0.80 LTA4H (0.45) LTA4HKCNH2EPHX2
SCHEMBL13844734 0.79 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL13844686 0.78 LTA4H (0.49) LTA4HKCNH2EPHX2
SCHEMBL13844732 0.77 LTA4H (0.46) LTA4HKCNH2EPHX2
SCHEMBL13844619 0.76 LTA4H (0.45) LTA4HKCNH2EPHX2
SCHEMBL1906945 0.76 LTA4H (0.71) LTA4HKCNH2
SCHEMBL1906946 0.76 LTA4H (0.71) LTA4HKCNH2
SCHEMBL13844695 0.75 LTA4H (0.44) LTA4HKCNH2EPHX2NPC1

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