SCHEMBL8548829

SCHEMBL8548829

O=C(O)c1c(Cl)nc(CC2CC2)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.60

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.60

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
SCHEMBL8548750 0.92 AGTR1 (0.52) AGTR1
SCHEMBL9309504 0.90 AGTR1 (0.67) AGTR1
SCHEMBL8548831 0.90 AGTR1 (0.48) AGTR1
SCHEMBL9309248 0.88 AGTR1 (0.71) AGTR1
SCHEMBL8544369 0.88 AGTR1 (0.56) AGTR1
SCHEMBL8547414 0.87 AGTR1 (0.53) AGTR1
Zolasartan SCHEMBL489476 0.87 AGTR1 (0.78) AGTR1
Zolasartan SCHEMBL30735999 0.87 AGTR1 (0.78) AGTR1
SCHEMBL9311434 0.87 AGTR1 (0.60) AGTR1
Zolasartan SCHEMBL9311614 0.86 AGTR1 (0.77) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514198-B1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LTD (GB) 1998-08-05 EP claimed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO claimed
EP-0514198-A1 1H-Imidazol-1-yl-methyl benzofuran derivatives with the imidazolyl moiety being substituted by a cycloalkyl group GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 US disclosed
US-5332831-A Angiotensin antagonist GLAXO GROUP LIMITED (GB) 1994-07-26 US disclosed
WO-1992020674-A1 1H-IMIDAZOL-1-YL-METHYL BENZOFURAN DERIVATIVES, WITH THE IMIDAZOLYL MOIETY BEING SUBSTITUTED BY A CYCLOALKYL GROUP GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed