SCHEMBL8638579

SCHEMBL8638579

CCCCc1nc(SC)c(OC(=O)OCC)n1Cc1ccc(-c2cccc(S(=O)(=O)N=CN(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.42
AGTR1 P30556 2/20 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
SCHEMBL6231351 0.92 AGTR2 (0.39) AGTR2AGTR1
SCHEMBL6230873 0.90 AGTR2 (0.37) AGTR2AGTR1
SCHEMBL8633765 0.90 AGTR2 (0.43) AGTR2AGTR1
SCHEMBL7608155 0.89 AGTR1 (0.45) AGTR2AGTR1
SCHEMBL7608151 0.89 AGTR1 (0.45) AGTR2AGTR1
SCHEMBL8641025 0.87 AGTR2 (0.44) AGTR2AGTR1
SCHEMBL8656482 0.83 AGTR2 (0.44) AGTR2AGTR1
SCHEMBL7266470 0.81 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL7266463 0.81 AGTR1 (0.43) AGTR2AGTR1
SCHEMBL6229944 0.78 AGTR2 (0.41) 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