SCHEMBL2052348

SCHEMBL2052348

CCc1cnc2nc(Oc3ccc(CCN4CCC(C(=O)N5CCCC5)CC4)cc3)sc2c1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 19/20 0.59
KCNH2 Q12809 8/20 0.50
MAPT P10636 1/20 0.42

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
SCHEMBL1008287 0.92 LTA4H (0.60) LTA4HKCNH2
SCHEMBL1006924 0.83 LTA4H (0.59) LTA4HKCNH2
SCHEMBL12356790 0.82 LTA4H (0.55) LTA4HKCNH2
SCHEMBL2169505 0.78 LTA4H (0.74) LTA4HKCNH2
SCHEMBL2169442 0.77 LTA4H (0.75) LTA4HKCNH2
SCHEMBL1007942 0.76 LTA4H (0.56) LTA4HKCNH2
SCHEMBL1010682 0.76 LTA4H (0.57) LTA4HKCNH2
Hydrochloric Acid SCHEMBL1895789 0.76 LTA4H (0.56) LTA4HKCNH2
SCHEMBL1882089 0.75 LTA4H (0.84) LTA4HKCNH2
SCHEMBL4964452 0.75 LTA4H (0.75) 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