SCHEMBL9454891

SCHEMBL9454891

COCc1nc(C)cc(OCc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1C(=O)OC

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 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
SCHEMBL9845977 0.94 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9455048 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9455177 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454851 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454425 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9455081 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9455134 0.86 AGTR1 (0.41) AGTR1
SCHEMBL9135647 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9454831 0.85 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9454842 0.85 AGTR1 (0.43) 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-5198439-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-03-30 US disclosed
US-5130318-A Hypotensive agents and for treatment of congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-07-14 US disclosed
EP-0453210-A2 Pyridine derivatives ZENECA LIMITED (GB) 1991-10-23 EP disclosed