SCHEMBL9459083

SCHEMBL9459083

CCOc1cncc(C2CN3CCC2C3)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.42
CHRM2 P08172 1/20 0.42
TLR7 Q9NYK1 2/20 0.39

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
SCHEMBL9458552 0.85 CHRM2 (0.42) CHRM1CHRM2
SCHEMBL8961513 0.84 CHRM1 (0.40) CHRM1CHRM2
SCHEMBL9459005 0.82 CHRM1 (0.44) CHRM1
SCHEMBL9458763 0.82 CHRM2 (0.39) CHRM1CHRM2
SCHEMBL8961523 0.78
SCHEMBL9458858 0.77 CHRM2 (0.47) CHRM2
SCHEMBL9458966 0.77 CHRM2 (0.35) CHRM1CHRM2
SCHEMBL9064276 0.77 CHRM2 (0.35) CHRM1CHRM2
Hydrochloric Acid SCHEMBL9459080 0.77
SCHEMBL9584936 0.76 CHRM2 (0.41) CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0492903-A1 Substituted pyrazines, pyrimidines and pyridazines for use in the treatment of glaucoma MERCK SHARP & DOHME LTD. (GB) 1992-07-01 EP claimed
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
US-5219849-A SUBSTITUTED PYRAZINES, PYRIMIDINES AND PYRIDAZINES FOR USE IN THE TREATMENT OF GLAUCOMA MERCK SHARP & DOHME (GB) 1993-06-15 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