SCHEMBL8779466

SCHEMBL8779466

CCCCCOc1nsnc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.46
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
CHRM3 P20309 1/20 0.45
MAOA P21397 1/20 0.45
DRD1 P21728 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45
PDE4A P27815 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
HTR2B P41595 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KCNH2 Q12809 1/20 0.45
CACNA1C Q13936 1/20 0.45
SCN5A Q14524 1/20 0.45

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
SCHEMBL8442739 0.78 CHRM1 (0.49) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7847876 0.76 CHRM1 (0.50) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL8441053 0.75 CHRM1 (0.44) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7852241 0.74 CHRM1 (0.45) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL8316187 0.73 CHRM1 (0.42) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7851759 0.72 CHRM1 (0.51) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL7893440 0.71 CHRM1 (0.43) CHRM1CHRM2CHRM4HTR1ACHRM5
SCHEMBL8081439 0.69 CHRM1 (0.53) CHRM1HRH3
SCHEMBL28311734 0.68 KDM4E (0.49) CHRM2ADRA2AHTR2BSLC6A3
SCHEMBL18428431 0.67 THRA (0.40) CHRM1CHRM2CHRM4HTR1ACHRM5

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-0621272-B1 3,4-Dioxy-1,2,5-thiadiazoles partly useful as fungicides TOSOH CORP (JP) 1997-11-19 EP disclosed
US-5478849-A Thiadiazole derivative, process for producing it and agricultural and horticultural fungicide using it as an active ingredient TOSOH CORPORATION (JP) 1995-12-26 US disclosed
EP-0621272-A1 3,4-Dioxy-1,2,5-thiadiazoles partly useful as fungicides Tosoh Corporation (JP) 1994-10-26 EP disclosed