SCHEMBL20924524

SCHEMBL20924524

CNC1CCN(c2ccc(-c3nc4ccncc4n3-c3ccc(Cl)cc3)cn2)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.79
▸ AOC3 Q16853 17/20 0.77

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
SCHEMBL16047863 0.89 AOC3 (0.84) KCNH2AOC3
SCHEMBL16048540 0.89 KCNH2 (1.00) KCNH2AOC3
SCHEMBL30026073 0.88 KCNH2 (0.75) KCNH2AOC3
SCHEMBL16048548 0.88 KCNH2 (0.75) KCNH2AOC3
SCHEMBL16048038 0.87 AOC3 (1.00) KCNH2AOC3
SCHEMBL16048406 0.84 KCNH2 (0.78) KCNH2AOC3
SCHEMBL30026179 0.84 KCNH2 (0.78) KCNH2AOC3
SCHEMBL30026427 0.84 KCNH2 (1.00) KCNH2AOC3
SCHEMBL25765327 0.84 KCNH2 (0.78) KCNH2AOC3
SCHEMBL16048114 0.84 KCNH2 (1.00) KCNH2AOC3

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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