SCHEMBL9155273

SCHEMBL9155273

CN1CCC=C(c2nc(Cc3ccccc3)ns2)C1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 4/20 0.46
CHRM2 P08172 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
HTR6 P50406 1/20 0.41
HRH1 P35367 1/20 0.40
CHRM4 P08173 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 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
SCHEMBL9151130 0.81 CHRM1 (0.49) CHRM1CHRM2CHRM4
SCHEMBL9154745 0.79 CHRM1 (0.56) CHRM1CHRM2CHRM4
SCHEMBL9151387 0.74 HTR2C (0.40) CHRM1CHRM2HTR6CHRM4
SCHEMBL9151015 0.74 CHRM1 (0.48) CHRM1CHRM2CHRM4
SCHEMBL9151534 0.73 CHRM1 (0.44) CHRM1CHRM2CHRM4
Hydrochloric Acid SCHEMBL9154554 0.73 CHRM1 (0.47) CHRM1CHRM2CHRM4
SCHEMBL9149768 0.73 CHRM1 (0.47) CHRM1CHRM2CHRM4
SCHEMBL9148039 0.72 CHRM1 (0.54) CHRM1CHRM2CHRM4
SCHEMBL9152503 0.70 CHRM1 (0.44) CHRM1CHRM2CHRM4
SCHEMBL9152324 0.70 CHRM1 (0.44) CHRM1CHRM2CHRM4

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