SCHEMBL9459002

SCHEMBL9459002

Clc1cncc(C2CN3CCC2C3)n1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.40
CHRM1 P11229 1/20 0.40

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
SCHEMBL5025977 0.92 CHRNA7 (0.41)
SCHEMBL2968389 0.92 CHRNA7 (0.41)
SCHEMBL9584936 0.83 CHRM2 (0.41) CHRM2CHRM1
SCHEMBL9458858 0.81 CHRM2 (0.47) CHRM2
Maleic Acid SCHEMBL9854125 0.81 CHRNA7 (0.39)
Maleic Acid SCHEMBL194353 0.81 CHRNA7 (0.39)
Cadaverine Tartrate SCHEMBL9710670 0.80 CHRNA7 (0.35)
Cadaverine Tartrate SCHEMBL9710674 0.80 CHRNA7 (0.35)
SCHEMBL9458552 0.78 CHRM2 (0.42) CHRM2CHRM1
SCHEMBL9458919 0.78 CHRM2 (0.40) CHRM2

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 4 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-0492903-A1 Substituted pyrazines, pyrimidines and pyridazines for use in the treatment of glaucoma MERCK SHARP & DOHME LTD. (GB) 1992-07-01 EP 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