SCHEMBL9675461

SCHEMBL9675461

CCCc1nc(C)c(C(=O)NCC)n1Cc1ccc2oc(-c3ccccc3N)c(Br)c2c1

nearest known ligand 0.73

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.51

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
SCHEMBL9309353 0.91 AGTR1 (0.52) AGTR1
SCHEMBL9859843 0.91 AGTR1 (0.58) AGTR1
SCHEMBL9311385 0.89 AGTR1 (0.52) AGTR1
SCHEMBL9309190 0.87
SCHEMBL7300264 0.85 AGTR1 (0.48) AGTR1
SCHEMBL9309869 0.84
SCHEMBL9310583 0.84
SCHEMBL9308205 0.83 AGTR1 (0.59) AGTR1
SCHEMBL7309005 0.83 AGTR1 (0.49) AGTR1
SCHEMBL9309893 0.82 AGTR1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020673-A1 ANTIHYPOTENSIVE BENZOFURAN DERIVATIVES WITH N-LINKED 1H-IMIDAZOLYLMETHYL-5-CARBOXAMIDE SUBSTITUENTS GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514216-A1 Antihypotensive benzofuran derivatives with N-linked 1H-imidazolyl-methyl-5-carboxamide substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed