SCHEMBL9458763

SCHEMBL9458763

CC(C)Oc1cncc(C2CN3CCC2C3)n1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CHRM1 P11229 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) CHRM2CHRM1
SCHEMBL9459083 0.82 CHRM1 (0.42) CHRM2CHRM1
SCHEMBL8961523 0.78
SCHEMBL9458858 0.77 CHRM2 (0.47) CHRM2
SCHEMBL9458966 0.77 CHRM2 (0.35) CHRM2CHRM1
Hydrochloric Acid SCHEMBL9459080 0.77
SCHEMBL8961513 0.76 CHRM1 (0.40) CHRM2CHRM1
SCHEMBL9584936 0.76 CHRM2 (0.41) CHRM2CHRM1
SCHEMBL9459002 0.75 CHRM2 (0.40) CHRM2CHRM1
SCHEMBL9458919 0.74 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 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