SCHEMBL8103510

SCHEMBL8103510

CCCc1nc(CCC)n(Cc2ccc(Cc3ccccc3C(=O)O)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.47
AGTR2 P50052 10/20 0.47
TSHR P16473 1/20 0.47
PPARG P37231 2/20 0.44

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
SCHEMBL8111085 0.95 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8103808 0.95 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8105354 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8105234 0.90 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL8111240 0.87 FOLH1 (0.50) AGTR1AGTR2TSHR
SCHEMBL8105579 0.86 TSHR (0.44) AGTR1AGTR2TSHR
SCHEMBL8096075 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8109213 0.85 TSHR (0.45) AGTR1AGTR2TSHR
SCHEMBL8109361 0.85 AGTR1 (0.42) AGTR1AGTR2TSHRPPARG
SCHEMBL6006851 0.84 AGTR1 (0.64) AGTR1AGTR2PPARG

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