SCHEMBL13649130

SCHEMBL13649130

C=C/C=C(\C=C/N)C(=O)N1CCN(CCOc2ccc(Oc3nc4nccc(C)c4s3)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.48
KCNH2 Q12809 2/20 0.48
KCNA5 P22460 3/20 0.38
DRD3 P35462 3/20 0.38
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL1008982 0.81 DRD3 (0.60) LTA4HKCNH2KCNA5DRD3HRH2
SCHEMBL1008080 0.73 LTA4H (0.57) LTA4HKCNH2
SCHEMBL1061860 0.70 LTA4H (0.58) LTA4HKCNH2HRH2HRH1
SCHEMBL1008214 0.69 LTA4H (0.52) LTA4HKCNH2
SCHEMBL2047433 0.68 LTA4H (0.55) LTA4HKCNH2
SCHEMBL12356761 0.68 LTA4H (0.63) LTA4HKCNH2DRD3DRD2
SCHEMBL1008190 0.67 LTA4H (0.71) LTA4HKCNH2
SCHEMBL1007996 0.66 LTA4H (1.00) LTA4HKCNH2
SCHEMBL1008432 0.66 LTA4H (0.58) LTA4HKCNH2
SCHEMBL1007807 0.66 LTA4H (0.74) LTA4HKCNH2HRH2HRH1

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
WO-2009126806-A2 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2009-10-15 WO disclosed