SCHEMBL8907460

SCHEMBL8907460

Nc1cc[n+](CCCCCC[n+]2ccc(N)c3ccccc32)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHKA P35790 3/20 0.57
BCHE P06276 1/20 0.52
ACHE P22303 1/20 0.52

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
SCHEMBL17021411 1.00 CHKA (0.57) CHKABCHEACHE
SCHEMBL8908331 1.00 CHKA (0.57) CHKABCHEACHE
Bromide SCHEMBL18334835 0.98 CHKA (0.59) CHKABCHEACHE
Iodide SCHEMBL14739218 0.98 CHKA (0.55) CHKA
Iodide SCHEMBL14738732 0.98 CHKA (0.55) CHKA
Iodide SCHEMBL14740375 0.98 CHKA (0.55) CHKA
Iodide SCHEMBL14739174 0.98 CHKA (0.55) CHKA
Iodide SCHEMBL2329322 0.98 CHKA (0.55) CHKA
SCHEMBL8912820 0.98 CHKA (0.58) CHKABCHEACHE
Bromide SCHEMBL18393423 0.96 CHKA (0.54) CHKA

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
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed