SCHEMBL4693732

SCHEMBL4693732

O=[C]NC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.74
KCNH2 Q12809 13/20 0.74

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
SCHEMBL4708856 0.90 LTA4H (0.73) LTA4HKCNH2
SCHEMBL4695152 0.87 LTA4H (0.69) LTA4HKCNH2
SCHEMBL2168577 0.86 LTA4H (0.74) LTA4HKCNH2
SCHEMBL2167311 0.85 LTA4H (0.74) LTA4HKCNH2
SCHEMBL2168447 0.85 LTA4H (0.83) LTA4HKCNH2
SCHEMBL14093045 0.85 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2168100 0.85 LTA4H (0.82) LTA4HKCNH2
SCHEMBL4998126 0.84 LTA4H (0.80) LTA4HKCNH2
SCHEMBL4692324 0.84 LTA4H (0.80) LTA4HKCNH2
SCHEMBL4998120 0.84 LTA4H (0.80) 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