SCHEMBL9675466

SCHEMBL9675466

CCCc1nc(C)c(C(=O)NCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EDNRA P25101 2/20 0.33
AGTR1 P30556 1/20 0.33

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
SCHEMBL9859850 0.91 AGTR1 (0.34) AGTR1
SCHEMBL9309363 0.91 EDNRA (0.37) EDNRAAGTR1
SCHEMBL9311392 0.89 AGTR1 (0.38) AGTR1
SCHEMBL9309199 0.87 EDNRA (0.32) EDNRA
SCHEMBL7300275 0.86 AGTR2 (0.41) AGTR1
SCHEMBL9310584 0.84 AGTR1 (0.36) KDM4ENPSR1HSD17B10AGTR1
SCHEMBL9309881 0.84
SCHEMBL7309024 0.84 AGTR1 (0.33) KDM4ENPSR1HSD17B10EDNRAAGTR1
SCHEMBL9308209 0.83 AGTR1 (0.39) EDNRAAGTR1
SCHEMBL9309904 0.82 MAPK1 (0.36) KDM4EHSD17B10AGTR1

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