SCHEMBL742459

SCHEMBL742459

O=C1CC(O)CN1C1CCN(Cc2c[nH]c3cc(Oc4nc5ccccc5s4)ccc23)CC1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.58
KCNH2 Q12809 9/20 0.54
EPHX2 P34913 1/20 0.46

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
SCHEMBL741965 1.00 LTA4H (0.58) LTA4HKCNH2EPHX2
SCHEMBL743492 0.88 LTA4H (0.74) LTA4HKCNH2EPHX2
SCHEMBL3754781 0.87 LTA4H (0.57) LTA4HKCNH2EPHX2
SCHEMBL3754776 0.87 LTA4H (0.57) LTA4HKCNH2EPHX2
SCHEMBL14093068 0.83 LTA4H (0.73) LTA4HKCNH2
SCHEMBL4693506 0.83 LTA4H (0.73) LTA4HKCNH2
SCHEMBL14093067 0.83 LTA4H (0.73) LTA4HKCNH2
SCHEMBL743395 0.83 LTA4H (0.71) LTA4HKCNH2EPHX2
SCHEMBL743903 0.82 LTA4H (0.59) LTA4HKCNH2EPHX2
SCHEMBL744056 0.82 LTA4H (0.59) LTA4HKCNH2EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP claimed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO claimed
EP-2430019-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica, N.V. (BE) 2012-03-21 EP disclosed
WO-2010132599-A1 COMPOUNDS WITH TWO FUSED BICYCLIC HETEROARYL MOIETIES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2010-11-18 WO disclosed