SCHEMBL9616385

SCHEMBL9616385

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

nearest known ligand 0.49

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.49

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
SCHEMBL9616284 0.94 AGTR1 (0.46) AGTR1
SCHEMBL9616312 0.89 AGTR1 (0.49) AGTR1
SCHEMBL9616549 0.88 AGTR1 (0.47) AGTR1
SCHEMBL9319121 0.87 AGTR1 (0.53) AGTR1
SCHEMBL9309530 0.86 AGTR1 (0.61) AGTR1
SCHEMBL9616426 0.86 AGTR1 (0.46) AGTR1
SCHEMBL9616311 0.85 AGTR1 (0.54) AGTR1
SCHEMBL9533052 0.84 AGTR1 (0.46) AGTR1
SCHEMBL9310205 0.84 AGTR1 (0.55) AGTR1
SCHEMBL9616393 0.83 AGTR1 (0.45) 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