SCHEMBL2168165

SCHEMBL2168165

CCOc1ccc(N2CCN(CCOc3ccc(Oc4nc5ccccc5s4)cc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.72
KCNH2 Q12809 5/20 0.57

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
SCHEMBL2170383 0.92 LTA4H (0.72) LTA4HKCNH2
SCHEMBL2169281 0.90 LTA4H (0.72) LTA4HKCNH2
SCHEMBL2170467 0.84 LTA4H (0.98) LTA4HKCNH2
SCHEMBL14092981 0.84 LTA4H (0.95) LTA4HKCNH2
SCHEMBL2169881 0.84 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2167835 0.83 LTA4H (0.68) LTA4HKCNH2
SCHEMBL2169352 0.83 LTA4H (0.81) LTA4HKCNH2
SCHEMBL2167877 0.83 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2168655 0.83 LTA4H (1.00) LTA4HKCNH2
SCHEMBL2168218 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 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