SCHEMBL9494062

SCHEMBL9494062

COC(=O)c1c(NCc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)cc(C)nc1C

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.66
AGTR2 P50052 4/20 0.66

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
SCHEMBL9497028 0.90 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9499272 0.86 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9454425 0.85 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9496626 0.85 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9494926 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9495525 0.82 AGTR2 (0.43) AGTR1AGTR2
SCHEMBL9494067 0.81 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9455081 0.79 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9455048 0.79 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9454891 0.79 AGTR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed