SCHEMBL4692827

SCHEMBL4692827

O=C(NO)OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.71
KCNH2 Q12809 10/20 0.71
EPHX2 P34913 1/20 0.51

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
SCHEMBL4743151 0.89 LTA4H (0.76) LTA4HKCNH2EPHX2
SCHEMBL4694062 0.89 LTA4H (0.79) LTA4HKCNH2
SCHEMBL4689162 0.88 LTA4H (0.67) LTA4HKCNH2EPHX2
SCHEMBL4689059 0.87 LTA4H (0.66) LTA4HKCNH2EPHX2
SCHEMBL2168411 0.87 LTA4H (0.79) LTA4HKCNH2
SCHEMBL4693677 0.87 LTA4H (0.63) LTA4HKCNH2EPHX2
SCHEMBL4695441 0.86 LTA4H (0.71) LTA4HKCNH2
SCHEMBL2168100 0.84 LTA4H (0.82) LTA4HKCNH2
SCHEMBL2169583 0.84 LTA4H (0.84) LTA4HKCNH2
SCHEMBL2169267 0.83 LTA4H (1.00) 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
EP-1660492-B1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2008-08-20 EP claimed