SCHEMBL17336342

SCHEMBL17336342

Cc1ccc(-n2c(-c3cnc(N4CCOCC4)nc3)nc3ccncc32)nc1.Fc1cc(Cl)ccc1-n1c(-c2ccc(N3CCOCC3)nc2)nc2ccncc21

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.82
▸ KCNH2 Q12809 4/20 0.75

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
SCHEMBL16052995 0.91 AOC3 (1.00) AOC3KCNH2
SCHEMBL16052898 0.89 AOC3 (1.00) AOC3KCNH2
SCHEMBL16053258 0.86 KCNH2 (1.00) AOC3KCNH2
SCHEMBL30026065 0.85 AOC3 (1.00) AOC3KCNH2
SCHEMBL16048041 0.85 AOC3 (1.00) AOC3KCNH2
SCHEMBL16053357 0.85 AOC3 (0.81) AOC3KCNH2
SCHEMBL16053450 0.84 AOC3 (0.83) AOC3KCNH2
SCHEMBL16052876 0.83 KCNH2 (0.86) AOC3KCNH2
SCHEMBL16049041 0.82 AOC3 (0.80) AOC3KCNH2
SCHEMBL16053459 0.82 AOC3 (0.82) 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-2015189534-A1 VAP-1 INHIBITORS FOR TREATING MUSCULAR DYSTROPHY PROXIMAGEN LIMITED (GB) 2015-12-17 — — WO disclosed
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