SCHEMBL20924558

SCHEMBL20924558

CC1CN(c2ncc(-c3nc4ccncc4n3-c3ccc(F)cc3)cn2)CC(C)O1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 18/20 0.69
▸ KCNH2 Q12809 2/20 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
SCHEMBL16053151 1.00 AOC3 (0.69) AOC3KCNH2
SCHEMBL22001001 0.89 AOC3 (0.64) AOC3KCNH2
SCHEMBL20924330 0.88 AOC3 (0.79) AOC3KCNH2
SCHEMBL16053419 0.88 AOC3 (0.79) AOC3KCNH2
SCHEMBL16053016 0.83 AOC3 (0.71) AOC3KCNH2
SCHEMBL30026768 0.82 AOC3 (0.82) AOC3KCNH2
SCHEMBL16047201 0.82 AOC3 (0.82) AOC3KCNH2
SCHEMBL22997094 0.82 AOC3 (1.00) AOC3KCNH2
SCHEMBL16052894 0.82 AOC3 (1.00) AOC3KCNH2
SCHEMBL16068151 0.79 AOC3 (0.75) 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 2 patents. 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
EP-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 — — EP disclosed
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