SCHEMBL9454487

SCHEMBL9454487

Cc1cc(OCc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(CN)c(C)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.46
AGTR2 P50052 1/20 0.46

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
SCHEMBL9444697 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9134757 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9455167 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9454877 0.91 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9454713 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9454665 0.88 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9454736 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9454650 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9454499 0.86 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454570 0.86 AGTR1 (0.44) 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