SCHEMBL4692949

SCHEMBL4692949

O=C(O)OC1CCN(CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.75
KCNH2 Q12809 5/20 0.65

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
SCHEMBL4693789 0.95 LTA4H (0.68) LTA4HKCNH2
SCHEMBL4693475 0.91 LTA4H (0.79) LTA4HKCNH2
SCHEMBL2168646 0.88 LTA4H (0.84) LTA4HKCNH2
SCHEMBL4688628 0.88 LTA4H (0.69) LTA4HKCNH2
SCHEMBL2168756 0.87 LTA4H (0.80) LTA4HKCNH2
SCHEMBL4968391 0.87 LTA4H (0.82) LTA4HKCNH2
SCHEMBL15282318 0.87 LTA4H (0.58) LTA4HKCNH2
SCHEMBL4710314 0.86 LTA4H (0.78) LTA4HKCNH2
SCHEMBL2169520 0.86 LTA4H (1.00) LTA4HKCNH2
SCHEMBL28523386 0.86 LTA4H (0.74) 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