SCHEMBL9178138

SCHEMBL9178138

CCc1cc(OCc2ccc(-c3ccccc3C#N)cc2)c2ccccc2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.63
AGTR2 P50052 1/20 0.63

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
SCHEMBL9454847 0.81 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9177090 0.81 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL7417812 0.79 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL4764431 0.79 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL4764548 0.79 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL7419130 0.79 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9137909 0.78 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9181093 0.78 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL7415161 0.78 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL4767008 0.78 AGTR1 (0.59) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5444071-A Hypotensive agent IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1995-08-22 US disclosed
US-5245035-A HETEROCYCLIC BORON COMPOUNDS AS INTERMEDIATES FOR ANGIOTENSIN II ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-09-14 US disclosed
WO-1992013853-A1 PHARMACEUTICAL AGENT IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-08-20 WO disclosed
EP-0495948-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES ZENECA LIMITED (GB) 1992-07-29 EP disclosed
EP-0495627-A1 Boron compounds ZENECA LIMITED (GB) 1992-07-22 EP disclosed
WO-1992002508-A1 PROCESS FOR THE MANUFACTURE OF QUINOLINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-02-20 WO disclosed