SCHEMBL13844745

SCHEMBL13844745

CC(C)(O)C(=O)N1CC2CC2C1CNCCc1cccc(Oc2nc3ccccc3s2)c1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 18/20 0.42
EPHX2 P34913 5/20 0.42
KCNH2 Q12809 7/20 0.39

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
SCHEMBL13844634 0.92 LTA4H (0.47) LTA4HEPHX2KCNH2
SCHEMBL13844731 0.91 LTA4H (0.45) LTA4HEPHX2KCNH2
SCHEMBL13844603 0.89 LTA4H (0.45) LTA4HEPHX2KCNH2
SCHEMBL13844737 0.89 LTA4H (0.44) LTA4HEPHX2KCNH2
SCHEMBL13844647 0.88 LTA4H (0.42) LTA4HEPHX2KCNH2
SCHEMBL13844638 0.87 LTA4H (0.42) LTA4HEPHX2KCNH2
SCHEMBL13844732 0.85 LTA4H (0.46) LTA4HEPHX2KCNH2
SCHEMBL13844799 0.84 LTA4H (0.45) LTA4HEPHX2KCNH2
SCHEMBL13844642 0.83 LTA4H (0.41) LTA4HEPHX2KCNH2
SCHEMBL13844637 0.83 LTA4H (0.43) LTA4HEPHX2KCNH2

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