SCHEMBL9842836

SCHEMBL9842836

CCCCc1nc(Cl)c(C(=O)O)n1Cc1ccc2sc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.56
AGTR2 P50052 3/20 0.52

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
SCHEMBL9846742 0.85 AGTR1 (0.57) AGTR1AGTR2
Zolasartan SCHEMBL30735999 0.84 AGTR1 (0.78) AGTR1AGTR2
Zolasartan SCHEMBL489476 0.84 AGTR1 (0.78) AGTR1AGTR2
SCHEMBL9842906 0.84 AGTR1 (0.53) AGTR1AGTR2
Zolasartan SCHEMBL27347758 0.84 AGTR1 (0.77) AGTR1AGTR2
Zolasartan SCHEMBL9311614 0.84 AGTR1 (0.77) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL179 0.83 AGTR2 (0.72) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL3475984 0.82 AGTR2 (0.71) AGTR1AGTR2
Carboxylic Acid Metabolite SCHEMBL9468825 0.82 AGTR2 (0.71) AGTR1AGTR2
SCHEMBL27352960 0.81 AGTR1 (0.67) AGTR1AGTR2

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-0430709-A2 Benzthiophen derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP claimed