SCHEMBL8096110

SCHEMBL8096110

CCCCc1nc(C(C)(C)C)n(Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.42
AGTR2 P50052 5/20 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
SCHEMBL8111200 0.94 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8095695 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8103574 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8105288 0.88 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL8105209 0.88 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8096060 0.88 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8105260 0.86 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL8105263 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8105410 0.86 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8096136 0.85 HIF1A (0.31)

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
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP claimed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO claimed
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