SCHEMBL9616613

SCHEMBL9616613

CCc1nc(=O)c(Cl)c(C(=O)O)n1Cc1ccc2oc(-c3ccccc3-c3nnn[nH]3)c(Br)c2c1

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.57

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
SCHEMBL9616345 0.94 AGTR1 (0.61) AGTR1
SCHEMBL9309504 0.92 AGTR1 (0.67) AGTR1
SCHEMBL9859899 0.90 AGTR1 (0.56) AGTR1
Hydrochloric Acid SCHEMBL9309845 0.90 AGTR1 (0.56) AGTR1
SCHEMBL8547890 0.86 AGTR1 (0.53) AGTR1
SCHEMBL9309248 0.86 AGTR1 (0.71) AGTR1
SCHEMBL9616300 0.86 AGTR1 (0.50) AGTR1
SCHEMBL9310766 0.85 AGTR1 (0.57) AGTR1
SCHEMBL8544246 0.85 AGTR1 (0.52) AGTR1
SCHEMBL9693613 0.85 AGTR1 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
EP-0514192-A1 Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed