SCHEMBL9152149

SCHEMBL9152149

CCc1nsc(C2=CCCNC2)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.46
CHRM3 P20309 2/20 0.46
CHRM4 P08173 1/20 0.46
CHRM5 P08912 1/20 0.46
CHRM1 P11229 1/20 0.46
HTR2A P28223 10/20 0.35
HTR2C P28335 5/20 0.35
HTR2B P41595 5/20 0.35
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33

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
SCHEMBL9147224 0.88 CHRM2 (0.47) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9149638 0.80 HTR2A (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9151387 0.79 HTR2C (0.40) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9151565 0.78 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9149690 0.78 CHRM2 (0.38) CHRM2CHRM3CHRM4CHRM5CHRM1
Hydrochloric Acid SCHEMBL9148160 0.78 HTR2A (0.37) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9152691 0.77 HTR2A (0.36) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9155409 0.76 HTR2A (0.40) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9148850 0.76 HTR2A (0.41) CHRM2CHRM3CHRM4CHRM5CHRM1
SCHEMBL9152311 0.76 HTR2A (0.36) CHRM2CHRM3CHRM4CHRM5CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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