SCHEMBL9309709

SCHEMBL9309709

CCCCc1nccn1Cc1ccc2c(-c3ccccc3C(=O)O)oc(Br)c2c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.65
AGTR2 P50052 3/20 0.65
HDAC1 Q13547 1/20 0.42

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
SCHEMBL9310178 0.91 AGTR1 (0.53) AGTR1AGTR2HDAC1
SCHEMBL9309700 0.89 AGTR1 (0.64) AGTR1AGTR2HDAC1
SCHEMBL9309933 0.83 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9481020 0.83 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9846721 0.82 AGTR1 (0.64) AGTR1AGTR2HDAC1
SCHEMBL9309756 0.81 AGTR1 (0.43) AGTR1AGTR2HDAC1
SCHEMBL9310171 0.80 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL27317908 0.79 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL27352962 0.79 AGTR1 (0.49) AGTR1AGTR2HDAC1
SCHEMBL9309923 0.79 AGTR1 (0.67) AGTR1AGTR2

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
CN-1052672-A Benzofuran derivative GLAXO GROUP LTD (GB) 1991-07-03 CN disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed