SCHEMBL22997056

SCHEMBL22997056

Cc1ccc(-n2c(-c3cnc(NCCCO)nc3)nc3ccncc32)cc1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.62
▸ KCNH2 Q12809 3/20 0.57

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
SCHEMBL20924559 0.94 AOC3 (0.64) AOC3KCNH2
SCHEMBL17075553 0.89 AOC3 (0.65) AOC3KCNH2
SCHEMBL16067949 0.85 AOC3 (0.85) AOC3KCNH2
SCHEMBL16067954 0.85 AOC3 (0.85) AOC3KCNH2
SCHEMBL18953116 0.84 AOC3 (0.61) AOC3KCNH2
SCHEMBL17621639 0.84 AOC3 (0.58) AOC3KCNH2
SCHEMBL30020733 0.84 AOC3 (0.58) AOC3KCNH2
SCHEMBL18976718 0.84 AOC3 (0.67) AOC3KCNH2
SCHEMBL20924438 0.84 AOC3 (0.75) AOC3KCNH2
SCHEMBL18976968 0.84 AOC3 (0.61) 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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