SCHEMBL8096084

SCHEMBL8096084

CC(C)CCc1nc(CCC(C)C)n(Cc2ccc(Cc3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.37
AGTR2 P50052 2/20 0.37
CNR2 P34972 1/20 0.31

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
SCHEMBL8105251 0.95 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8105318 0.95 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8105567 0.95 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8105217 0.95 AGTR1 (0.34) AGTR1AGTR2CNR2
SCHEMBL8105066 0.94 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8109413 0.94 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8103571 0.93 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL8095973 0.91 AGTR1 (0.40) AGTR1AGTR2CNR2
SCHEMBL8103586 0.88
SCHEMBL8095671 0.88 AGTR1 (0.42) 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
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