SCHEMBL9309530

SCHEMBL9309530

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

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.61

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
SCHEMBL9309699 0.95 AGTR1 (0.67) AGTR1
SCHEMBL9309003 0.95 AGTR1 (0.64) AGTR1
SCHEMBL9859899 0.94 AGTR1 (0.56) AGTR1
Hydrochloric Acid SCHEMBL9309845 0.93 AGTR1 (0.56) AGTR1
SCHEMBL9309248 0.93 AGTR1 (0.71) AGTR1
SCHEMBL9310205 0.92 AGTR1 (0.55) AGTR1
SCHEMBL9309521 0.91 AGTR1 (0.53) AGTR1
SCHEMBL9616345 0.91 AGTR1 (0.61) AGTR1
SCHEMBL9309769 0.90 AGTR1 (0.66) AGTR1
SCHEMBL9309044 0.90 AGTR1 (0.68) 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