SCHEMBL9529698

SCHEMBL9529698

CCCCC(OC)(OC)c1nc(CC(C)C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.42
AGTR2 P50052 7/20 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
SCHEMBL9528953 0.95 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9529200 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9530362 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528759 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9528403 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9529542 0.91 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9527640 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8105192 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528316 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8105087 0.88 AGTR1 (0.51) 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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed