SCHEMBL8545116

SCHEMBL8545116

Cc1nc(C2CC2)n(Cc2c3ccocc-3c(Br)c2-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.35
AGTR2 P50052 2/20 0.35

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
SCHEMBL8549035 0.89 AGTR1 (0.33) AGTR1
SCHEMBL9695399 0.88 AGTR1 (0.33) AGTR1
SCHEMBL9860046 0.87 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9662718 0.86 AGTR1 (0.32) AGTR1
SCHEMBL9308715 0.86 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9694922 0.85 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9859961 0.85 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL8547298 0.83 ALDH1A1 (0.33) AGTR1
SCHEMBL9859315 0.83 AGTR1 (0.34) AGTR1
SCHEMBL9309386 0.82 AGTR1 (0.38) 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 4 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 disclosed
US-5498722-A HYPOTENSIVES GLAXO GROUP (GB) 1996-03-12 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
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 disclosed