SCHEMBL8548831

SCHEMBL8548831

O=C(O)Oc1c(Cl)nc(CC2CC2)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.48

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
SCHEMBL8548754 0.92 AGTR1 (0.44) AGTR1
SCHEMBL8548829 0.90 AGTR1 (0.60) AGTR1
SCHEMBL8544373 0.90 AGTR1 (0.46) AGTR1
SCHEMBL8548786 0.88 AGTR1 (0.46) AGTR1
SCHEMBL6568027 0.88 AGTR1 (0.63) AGTR1
SCHEMBL8548732 0.85 AGTR1 (0.49) AGTR1
SCHEMBL8548750 0.84 AGTR1 (0.52) AGTR1
SCHEMBL8548712 0.84 AGTR1 (0.45) AGTR1
SCHEMBL8548853 0.82 AGTR1 (0.44) AGTR1
SCHEMBL8550698 0.82 AGTR1 (0.43) 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 1 patent. 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