SCHEMBL7706786

SCHEMBL7706786

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

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 7/20 0.75
AGTR1 P30556 4/20 0.74

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
SCHEMBL7017916 0.96 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL7026032 0.94 AGTR2 (0.66) AGTR2AGTR1
SCHEMBL7701060 0.92 AGTR2 (0.80) AGTR2AGTR1
SCHEMBL8554674 0.92 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL8557077 0.91 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL8898987 0.88 AGTR2 (0.83) AGTR2AGTR1
SCHEMBL8551982 0.88 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL7021275 0.88 AGTR2 (0.79) AGTR2AGTR1
SCHEMBL7019431 0.87 AGTR2 (0.63) AGTR2AGTR1
SCHEMBL8554921 0.87 AGTR2 (0.57) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0644188-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2002-12-04 EP claimed
EP-0648763-B1 Process for the preparation of sulfur derivatives of imidazole and intermediates obtained AVENTIS PHARMA SA (FR) 2001-05-09 EP claimed
EP-0577023-A2 Angiotensin-II receptor-antagonists for the treatment of arrhythmices HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-05 EP disclosed
EP-0577025-A2 Angiotensin-II-receptorantagonist for the treatment and prophylaxis of coronary heart diseases HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-05 EP disclosed