SCHEMBL11098564

SCHEMBL11098564

CCCCc1nc(CC(=O)O)c(Cl)n1Cc1ccccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 2)

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

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
SCHEMBL5864904 0.86 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL6971889 0.83 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL161 0.82 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL13199726 0.82 AGTR2 (0.59) AGTR1AGTR2
SCHEMBL11100430 0.81 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9424075 0.72
SCHEMBL9424073 0.72
SCHEMBL1986629 0.71 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9473439 0.71 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9194373 0.71 AGTR1 (1.00) 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
EP-0028833-B1 IMIDAZOLE DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1984-01-25 EP disclosed
US-4340598-A Hypotensive imidazole derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-07-20 US disclosed
EP-0028833-A2 Imidazole derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-05-20 EP disclosed