SCHEMBL2047433

SCHEMBL2047433

Cc1ccnc2nc(Oc3ccc(OCCN4CCC(C(N)=O)CC4C)cc3)sc12

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.55
KCNH2 Q12809 5/20 0.48
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL1008190 0.79 LTA4H (0.71) LTA4HKCNH2
SCHEMBL1008080 0.79 LTA4H (0.57) LTA4HKCNH2
SCHEMBL1008432 0.75 LTA4H (0.58) LTA4HKCNH2
Hydrochloric Acid SCHEMBL2030751 0.75 LTA4H (0.57) LTA4HKCNH2
SCHEMBL12356761 0.74 LTA4H (0.63) LTA4HKCNH2
SCHEMBL1061860 0.73 LTA4H (0.58) LTA4HKCNH2
SCHEMBL1008982 0.72 DRD3 (0.60) LTA4HKCNH2
SCHEMBL1891389 0.72 LTA4H (0.76) LTA4HKCNH2ESR1ESR2
SCHEMBL1888396 0.71 LTA4H (1.00) LTA4HKCNH2
SCHEMBL1008996 0.69 LTA4H (0.63) 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-2336125-A1 Thiazolopyridin-2-yloxy-phenyl and thiazolopyrazin-2-yloxy-phenyl amines as modulators of leukotriene A4 hydrolase Janssen Pharmaceutica N.V. (BE) 2011-06-22 EP disclosed