SCHEMBL2178329

SCHEMBL2178329

FC1(F)CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1.OC1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)C1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.78
KCNH2 Q12809 9/20 0.78

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
SCHEMBL2168335 0.92 LTA4H (0.88) LTA4HKCNH2
SCHEMBL2168343 0.92 LTA4H (0.88) LTA4HKCNH2
SCHEMBL14093039 0.92 LTA4H (0.88) LTA4HKCNH2
SCHEMBL2169295 0.90 LTA4H (0.76) LTA4HKCNH2
SCHEMBL2169267 0.88 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2169688 0.86 LTA4H (0.78) LTA4HKCNH2
SCHEMBL2168100 0.83 LTA4H (0.82) LTA4HKCNH2
SCHEMBL4693301 0.82 LTA4H (0.88) LTA4HKCNH2
SCHEMBL4693297 0.82 LTA4H (0.88) LTA4HKCNH2
SCHEMBL4998126 0.80 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726238-B2 2011-07-20 JP claimed
EP-1660492-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS Janssen Pharmaceutica N.V. (BE) 2006-05-31 EP claimed
WO-2005012297-A1 BENZIMIDAZOLE, BENZTHIAZOLE AND BENZOXAZOLE DERIVATIVES AND THEIR USE AS LTA4H MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO claimed