SCHEMBL9309199

SCHEMBL9309199

CCc1nc(C)c(C(=O)NC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1N

nearest known ligand 0.43

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 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
SCHEMBL9710524 0.91 AGTR2 (0.31) EDNRA
SCHEMBL9309904 0.88 MAPK1 (0.36)
SCHEMBL9675466 0.87 KDM4E (0.37) EDNRA
SCHEMBL7306526 0.84 AGTR2 (0.39) EDNRA
Hydrochloric Acid SCHEMBL9310132 0.84
SCHEMBL9859850 0.84 AGTR1 (0.34)
SCHEMBL9309363 0.84 EDNRA (0.37) EDNRA
SCHEMBL9675531 0.84
SCHEMBL9616331 0.84 CASR (0.31)
SCHEMBL7303450 0.83 EDNRA (0.30) EDNRA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
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