SCHEMBL7309024

SCHEMBL7309024

CCCc1nc(C)c(C(=O)NCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1C(=O)Nc1nnn[nH]1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.33
EDNRA P25101 5/20 0.32
KDM4E B2RXH2 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7311264 0.96 KDM4E (0.32) KDM4ENPSR1HSD17B10
SCHEMBL7299329 0.94 EDNRA (0.34) AGTR1EDNRA
SCHEMBL7310098 0.93 EDNRA (0.33) AGTR1EDNRA
SCHEMBL7307130 0.92 AGTR1 (0.34) AGTR1
SCHEMBL7303450 0.90 EDNRA (0.30) EDNRA
SCHEMBL7302097 0.88 AGTR1 (0.32) AGTR1
SCHEMBL7313254 0.88
SCHEMBL7306263 0.87 AGTR1 (0.38) AGTR1EDNRA
SCHEMBL7304229 0.87 AGTR1 (0.34) AGTR1
SCHEMBL9675466 0.84 KDM4E (0.37) AGTR1EDNRAKDM4ENPSR1HSD17B10

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
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US claimed
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed
EP-0514193-A1 N-linked imidazolyl-methyl benzofuran derivatives with antihypotensive activity GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed