SCHEMBL8545109

SCHEMBL8545109

Cc1nc(C2CC2)n(Cc2ccc3oc(-c4ccccc4-c4nnn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)c(Br)c3c2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.47
AGTR2 P50052 1/20 0.41

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
SCHEMBL9310941 0.91 AGTR1 (0.51) AGTR1
SCHEMBL8549032 0.89 AGTR1 (0.40) AGTR1
SCHEMBL9312340 0.89 AGTR1 (0.54) AGTR1
SCHEMBL9860039 0.87 AGTR1 (0.58) AGTR1
SCHEMBL9662706 0.86 AGTR1 (0.51) AGTR1
SCHEMBL9694909 0.86 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9308702 0.86 AGTR1 (0.57) AGTR1
SCHEMBL9859950 0.85 AGTR1 (0.61) AGTR1
SCHEMBL27350911 0.84 AGTR1 (0.46) AGTR1
SCHEMBL9714907 0.83 AGTR1 (0.60) 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