SCHEMBL4693789

SCHEMBL4693789

O=C(O)OC1CCN(C2CCN(CCOc3ccc(Oc4nc5ccccc5s4)cc3)CC2)CC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.68
KCNH2 Q12809 6/20 0.64

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
SCHEMBL4692949 0.95 LTA4H (0.75) LTA4HKCNH2
SCHEMBL2170044 0.90 LTA4H (0.75) LTA4HKCNH2
SCHEMBL4688502 0.89 LTA4H (0.63) LTA4HKCNH2
SCHEMBL4693475 0.87 LTA4H (0.79) LTA4HKCNH2
SCHEMBL4968204 0.86 LTA4H (0.80) LTA4HKCNH2
SCHEMBL2168582 0.85 LTA4H (0.80) LTA4HKCNH2
SCHEMBL2169649 0.84 LTA4H (0.70) LTA4HKCNH2
SCHEMBL4966372 0.84 LTA4H (0.81) LTA4HKCNH2
SCHEMBL2168646 0.84 LTA4H (0.84) LTA4HKCNH2
SCHEMBL4688628 0.83 LTA4H (0.69) 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