SCHEMBL6545647

SCHEMBL6545647

CCCCc1nc(SC)c(C(C)(O)C(=O)O)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.78
AGTR1 P30556 1/20 0.61

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
SCHEMBL8345878 0.88 AGTR1 (0.78) AGTR2AGTR1
SCHEMBL6545773 0.87 AGTR2 (1.00) AGTR2AGTR1
SCHEMBL8552894 0.87 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL8969857 0.86 AGTR1 (0.68) AGTR2AGTR1
SCHEMBL8350329 0.86 AGTR2 (0.60) AGTR2AGTR1
SCHEMBL8551982 0.85 AGTR2 (0.62) AGTR2AGTR1
SCHEMBL7022844 0.84 AGTR1 (0.76) AGTR2AGTR1
SCHEMBL8352518 0.83 AGTR2 (0.57) AGTR2AGTR1
SCHEMBL7022847 0.82 AGTR2 (0.61) AGTR2AGTR1
SCHEMBL6545033 0.82 AGTR2 (1.00) 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-0748315-B1 USE OF IMIDAZOLE DERIVATIVES FOR TREATING DISORDERS INVOLVING ANGIOTENSIN RECEPTORS AT1 AND AT2, THESE PRODUCTS, PREPARATION THEREOF, USE THEREOF AS DRUGS, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-01-07 EP claimed