SCHEMBL8095767

SCHEMBL8095767

CCCCc1nc(C(=O)CCC)nn1Cc1ccc(-c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.52
AGTR1 P30556 8/20 0.47
AGTR2 P50052 8/20 0.47
LTB4R2 Q9NPC1 1/20 0.46

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
SCHEMBL8103319 0.96 PPARG (0.52) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8105210 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105265 0.86 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL8103700 0.86 PPARG (0.55) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8095962 0.85 PPARG (0.56) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8105307 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8096101 0.83 PPARG (0.54) PPARGAGTR1AGTR2
SCHEMBL8104965 0.83 PPARG (0.59) PPARGAGTR1AGTR2LTB4R2
SCHEMBL8105097 0.82 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8110976 0.82 PPARG (0.51) PPARGAGTR1AGTR2LTB4R2

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 4 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
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed