SCHEMBL20924315

SCHEMBL20924315

OCCNc1ccc(-c2nc3ccncc3n2-c2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 17/20 0.58
▸ KCNH2 Q12809 3/20 0.47
▸ AOC2 O75106 1/20 0.43

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
SCHEMBL20924390 0.89 AOC3 (0.61) AOC3KCNH2AOC2
SCHEMBL20924303 0.88 AOC3 (0.57) AOC3KCNH2
SCHEMBL18976817 0.88 AOC3 (0.55) AOC3KCNH2
SCHEMBL20924382 0.87 AOC3 (0.67) AOC3KCNH2
SCHEMBL20924324 0.80 AOC3 (0.54) AOC3KCNH2
SCHEMBL22997070 0.78 AOC3 (0.52) AOC3KCNH2
SCHEMBL18976716 0.78 AOC3 (0.67) AOC3KCNH2
SCHEMBL20924446 0.78 AOC3 (0.59) AOC3KCNH2AOC2
SCHEMBL20924379 0.78 AOC3 (0.60) AOC3KCNH2AOC2
SCHEMBL18976720 0.77 AOC3 (0.52) 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
Send feedback