SCHEMBL9309814

SCHEMBL9309814

CCCc1nc(Cl)c(C(=O)NC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.35
AGTR2 P50052 3/20 0.34
EDNRA P25101 4/20 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
SCHEMBL9309585 0.96 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9310782 0.94 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9694855 0.92 AGTR1 (0.35) AGTR1AGTR2EDNRA
SCHEMBL9309262 0.92 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9309579 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9693538 0.91 AGTR1 (0.34) AGTR1AGTR2EDNRA
SCHEMBL7304229 0.90 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9310369 0.89 AGTR1 (0.40) AGTR1AGTR2EDNRA
SCHEMBL9694718 0.89 AGTR1 (0.34) AGTR1AGTR2EDNRA
SCHEMBL9694829 0.89 MAPT (0.35) AGTR1AGTR2EDNRA

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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US claimed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP claimed
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed