SCHEMBL9151016

SCHEMBL9151016

OC(c1ccccc1)c1nsc(C2CN3CCC2CC3)n1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.48
CHRNB4 P30926 2/20 0.42
CHRNA3 P32297 2/20 0.42
CHRM3 P20309 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37

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
SCHEMBL9150939 0.80 CHRNA7 (0.40) CHRNA7CHRNB4CHRNA3CHRM3CHRM2
SCHEMBL9718596 0.78 KCNH2 (0.46)
SCHEMBL9151124 0.76 CHRNA7 (0.39) CHRNA7CHRM2
SCHEMBL9154899 0.76 CHRNA7 (0.54) CHRNA7CHRM3CHRM2CHRM1CHRM4
Oxalic Acid SCHEMBL9154706 0.75 CHRNA7 (0.37) CHRNA7
Hydrochloric Acid SCHEMBL9148174 0.74 CHRNA7 (0.53) CHRNA7CHRM3CHRM2CHRM1CHRM4
SCHEMBL9148599 0.74 CHRNA7 (0.49) CHRNA7CHRM3CHRM2CHRM1CHRM4
SCHEMBL9149299 0.72 CHRNA7 (0.50) CHRNA7CHRM3CHRM2CHRM1CHRM4
Oxalic Acid SCHEMBL9151906 0.72 CHRNA7 (0.47) CHRNA7CHRM3CHRM2CHRM1CHRM4
SCHEMBL10521021 0.71 CHRNA7 (0.44) CHRNA7CHRNB4CHRNA3CHRM3CHRM2

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
US-5405853-A Potent muscarinic agonists having good central nervous system penetrability MERCK SHARPE & DOHME LTD. (GB) 1995-04-11 US claimed
EP-0307142-B1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-09-14 EP claimed
EP-0307142-A1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 EP claimed
US-5405853-A Potent muscarinic agonists having good central nervous system penetrability MERCK SHARPE & DOHME LTD. (GB) 1995-04-11 US disclosed
EP-0307142-B1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME (GB) 1994-09-14 EP disclosed
EP-0307142-A1 Thiadiazoles useful in the treatment of senile dementia MERCK SHARP & DOHME LTD. (GB) 1989-03-15 EP disclosed