SCHEMBL9310205

SCHEMBL9310205

CCCc1nc(C)c(C(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.55
AGTR2 P50052 2/20 0.44

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
SCHEMBL9309136 0.96 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9309356 0.95 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9310374 0.94 AGTR1 (0.62) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9310039 0.93 AGTR1 (0.51) AGTR1
SCHEMBL9310011 0.92 AGTR1 (0.48) AGTR1
SCHEMBL9309530 0.92 AGTR1 (0.61) AGTR1
SCHEMBL9310031 0.92 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9310281 0.91 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9309276 0.90 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9309941 0.88 AGTR1 (0.58) 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 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