SCHEMBL8096033

SCHEMBL8096033

CCCCC(F)(F)c1nc(CCC)n(Cc2ccc(-c3cccc(C(=O)O)c3)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.54
LTB4R2 Q9NPC1 1/20 0.41
AGTR1 P30556 7/20 0.41
AGTR2 P50052 7/20 0.41

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
SCHEMBL8109434 0.96 PPARG (0.49) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8103612 0.95 PPARG (0.56) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8096137 0.94 PPARG (0.50) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8111121 0.93 PPARG (0.49) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8105541 0.92 PPARG (0.56) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8109174 0.90 PPARG (0.50) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8109299 0.89 PPARG (0.57) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8103597 0.89 PPARG (0.50) PPARGLTB4R2
SCHEMBL8111214 0.88 PPARG (0.49) PPARGLTB4R2AGTR1AGTR2
SCHEMBL8110976 0.87 PPARG (0.51) PPARGLTB4R2AGTR1AGTR2

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