SCHEMBL16250453

SCHEMBL16250453

CC(=O)N1CC2CC[C@@H](C1)N2CCc1ccc(Oc2nc3ncccc3s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 20/20 0.76
KCNH2 Q12809 3/20 0.74

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
SCHEMBL1885587 1.00 LTA4H (0.76) LTA4HKCNH2
SCHEMBL1891102 0.91 LTA4H (0.69) LTA4HKCNH2
SCHEMBL1891498 0.91 LTA4H (0.75) LTA4HKCNH2
SCHEMBL1008358 0.90 LTA4H (0.76) LTA4HKCNH2
SCHEMBL1882085 0.86 LTA4H (1.00) LTA4HKCNH2
SCHEMBL1891535 0.86 LTA4H (0.56) LTA4HKCNH2
SCHEMBL1010597 0.86 LTA4H (0.76) LTA4HKCNH2
SCHEMBL1891890 0.85 LTA4H (1.00) LTA4HKCNH2
SCHEMBL12356678 0.85 LTA4H (1.00) LTA4HKCNH2
SCHEMBL12356669 0.85 LTA4H (1.00) 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-2268646-B9 THIAZOLOPYRIDIN-2-YLOXY-PHENYL AND THIAZOLOPYRAZIN-2-YLOXY-PHENYL AMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA NV (BE) 2014-11-19 EP disclosed