SCHEMBL8103371

SCHEMBL8103371

CCCc1nc(CCC)n(Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.46
AGTR2 P50052 2/20 0.46
PPARG P37231 1/20 0.37

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
SCHEMBL8105014 0.95 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8103269 0.94 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8111014 0.93 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL8103230 0.93 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL8105209 0.92 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8103520 0.91 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL8103127 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8105410 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8095671 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8104919 0.88 AGTR1 (0.39) 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