SCHEMBL3623283

SCHEMBL3623283

NC(=O)CC1C[C@H]2CC[C@@H](C1)N2CCOc1ccc(Oc2nc3cccc(Cl)c3s2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.49
KCNH2 Q12809 4/20 0.40

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
SCHEMBL1906165 0.87 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12223106 0.87 LTA4H (0.55) LTA4HKCNH2
SCHEMBL1906942 0.84 LTA4H (0.66) LTA4HKCNH2
SCHEMBL12222885 0.84 LTA4H (0.66) LTA4HKCNH2
SCHEMBL1904690 0.83 LTA4H (0.48) LTA4HKCNH2
SCHEMBL12223117 0.83 LTA4H (0.48) LTA4HKCNH2
SCHEMBL3621856 0.80 LTA4H (0.47) LTA4HKCNH2
SCHEMBL1902111 0.77 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12265719 0.77 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12223114 0.77 LTA4H (0.55) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2217237-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE Janssen Pharmaceutica N.V. (BE) 2010-08-18 EP claimed
WO-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO claimed