SCHEMBL8105265

SCHEMBL8105265

CCCCc1nc(CCCC)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
AGTR1 P30556 4/20 0.53
AGTR2 P50052 4/20 0.53

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
SCHEMBL8096101 0.97 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL8095962 0.97 PPARG (0.56) PPARGAGTR1AGTR2
SCHEMBL8104965 0.97 PPARG (0.59) PPARGAGTR1AGTR2
SCHEMBL8103387 0.92 PPARG (0.50) PPARGAGTR1AGTR2
SCHEMBL8105380 0.92 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8111072 0.90 PPARG (0.52) PPARGAGTR1AGTR2
SCHEMBL8103700 0.90 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL8111241 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8104901 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8096137 0.86 PPARG (0.50) PPARGAGTR1AGTR2

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