SCHEMBL9458669

SCHEMBL9458669

c1ncc(C2CN3CCC2CC3)cn1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.56
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42

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
SCHEMBL6628801 0.80 CHRNA7 (0.66) CHRNA7
SCHEMBL9459255 0.78 CHRNA7 (0.53) CHRNA7
SCHEMBL9431069 0.77 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL3217359 0.72 CHRNA7 (1.00) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9430901 0.71 CHRNB2 (0.49) CHRNA7
SCHEMBL9494092 0.69 CHRNA7 (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9678555 0.69 CHRNA7 (0.56) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL11300641 0.69 CHRNA7 (0.67) CHRNA7CHRM2CHRM4CHRM5CHRM1
SCHEMBL9459439 0.69 CHRM2 (0.48) CHRNA7CHRM2CHRM1
SCHEMBL8935429 0.69 CHRM2 (0.54) CHRNA7CHRM2CHRM4CHRM5CHRM1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0327155-A2 Pyrazines, pyrimidines and pyridazines, useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-08-09 EP claimed
US-5260293-A Simulate central muscarinic acetlycholine receptors MERCK SHARP & DOHME LIMITED (GB) 1993-11-09 US disclosed
EP-0327155-A2 Pyrazines, pyrimidines and pyridazines, useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-08-09 EP disclosed