SCHEMBL13844809

SCHEMBL13844809

NC(=O)N1CC2CC2C1CNCCc1ccc(Oc2nc3ccccc3s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.52
KCNH2 Q12809 10/20 0.49
EPHX2 P34913 2/20 0.49
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13844734 0.92 LTA4H (0.52) LTA4HKCNH2EPHX2
SCHEMBL13844603 0.91 LTA4H (0.45) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844691 0.91 LTA4H (0.49) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844795 0.89 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844807 0.89 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844634 0.89 LTA4H (0.47) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844637 0.86 LTA4H (0.43) LTA4HKCNH2EPHX2CYP1A2CYP3A4
SCHEMBL13844609 0.83 LTA4H (0.46) LTA4HKCNH2EPHX2
SCHEMBL13844731 0.83 LTA4H (0.45) LTA4HKCNH2EPHX2
SCHEMBL13844686 0.82 LTA4H (0.49) LTA4HKCNH2EPHX2CYP1A2CYP3A4

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