SCHEMBL18976819

SCHEMBL18976819

OCCNc1ncc(-c2cc3ccncc3n2-c2ccc(Cl)cc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 14/20 0.62
▸ KCNH2 Q12809 13/20 0.62

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
SCHEMBL22997064 0.89 AOC3 (0.57) AOC3KCNH2
SCHEMBL22997263 0.89 AOC3 (0.55) AOC3KCNH2
SCHEMBL16067932 0.83 KCNH2 (0.67) AOC3KCNH2
SCHEMBL18976718 0.82 AOC3 (0.67) AOC3KCNH2
SCHEMBL30026069 0.78 AOC3 (0.80) AOC3KCNH2
SCHEMBL16049364 0.78 AOC3 (0.80) AOC3KCNH2
SCHEMBL16048095 0.78 AOC3 (1.00) AOC3KCNH2
SCHEMBL16067958 0.77 AOC3 (0.69) AOC3KCNH2
SCHEMBL16067956 0.76 KCNH2 (1.00) AOC3KCNH2
SCHEMBL22818896 0.75 AOC3 (0.78) AOC3KCNH2

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-2017098236-A1 VAP-1 INHIBITORS FOR TREATING PAIN PROXIMAGEN LIMITED (GB) 2017-06-15 — — WO disclosed
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