SCHEMBL9149299

SCHEMBL9149299

c1ccc(Cc2nsc(C3CN4CCC3CC4)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.50
CHRM2 P08172 7/20 0.39
CHRM1 P11229 6/20 0.39
CHRM4 P08173 2/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
MAPT P10636 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
SCHEMBL9151188 0.95 CHRNA7 (0.43) CHRNA7CHRM2CHRM1
Oxalic Acid SCHEMBL9148306 0.94 CHRNA7 (0.45) CHRNA7CHRM2CHRM1CHRM5CHRM3
SCHEMBL9148716 0.78 CHRNA7 (0.39) CHRNA7
SCHEMBL9154899 0.77 CHRNA7 (0.54) CHRNA7CHRM2CHRM1CHRM4CHRM5
Hydrochloric Acid SCHEMBL9151763 0.77 CHRNA7 (0.38) CHRNA7
Hydrochloric Acid SCHEMBL9148174 0.76 CHRNA7 (0.53) CHRNA7CHRM2CHRM1CHRM4CHRM5
SCHEMBL9149529 0.76 CHRNA7 (0.37) CHRNA7
SCHEMBL9718693 0.74 CHRM2 (0.49) CHRM2CHRM1
SCHEMBL9152399 0.74 CHRM2 (0.41) CHRM2CHRM1
SCHEMBL9148599 0.73 CHRNA7 (0.49) CHRNA7CHRM2CHRM1CHRM4CHRM5

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