SCHEMBL8640736

SCHEMBL8640736

CCCCc1nc(SC)c(OC(=O)OCC)n1Cc1ccc(-c2ccccc2S(N)(=O)=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 6/20 0.56
AGTR1 P30556 5/20 0.55

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
SCHEMBL8638034 0.95 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL8633658 0.91 AGTR1 (0.59) AGTR2AGTR1
SCHEMBL8637469 0.91 AGTR2 (0.54) AGTR2AGTR1
SCHEMBL8557077 0.89 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL6551422 0.88 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL8554921 0.88 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL7608200 0.87 AGTR1 (0.63) AGTR2AGTR1
SCHEMBL7706786 0.86 AGTR2 (0.75) AGTR2AGTR1
SCHEMBL8551982 0.86 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL8637352 0.86 AGTR2 (0.45) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0855392-A2 Five-membered heterocycles having biphenylsulphonyl substituents, processes for the preparation thereof, their use as medicaments or diagnostic agent and medicaments containing them HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-29 EP disclosed