SCHEMBL22997070

SCHEMBL22997070

Cc1ccc(-n2c(-c3ccc(NCCO)nc3)nc3ccncc32)nc1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 16/20 0.52
▸ KCNH2 Q12809 3/20 0.45
▸ MAPT P10636 1/20 0.41

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
SCHEMBL18976720 0.89 AOC3 (0.52) AOC3KCNH2
SCHEMBL20924303 0.88 AOC3 (0.57) AOC3KCNH2
SCHEMBL21253921 0.88 AOC3 (0.52) AOC3KCNH2MAPT
SCHEMBL20924414 0.88 AOC3 (0.56) AOC3KCNH2
SCHEMBL20924435 0.82 KCNH2 (0.60) AOC3KCNH2
SCHEMBL18976817 0.81 AOC3 (0.55) AOC3KCNH2
SCHEMBL18976984 0.81 AOC3 (0.62) AOC3KCNH2
SCHEMBL20924390 0.80 AOC3 (0.61) AOC3KCNH2
SCHEMBL20924382 0.80 AOC3 (0.67) AOC3KCNH2
SCHEMBL20924324 0.80 AOC3 (0.54) 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
EP-3777846-A1 VAP-1 INHIBITORS FOR TREATING PAIN BenevolentAI Cambridge Limited (GB) 2021-02-17 — — EP disclosed
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