SCHEMBL8103515

SCHEMBL8103515

CCCCc1nc(C(F)(F)CCC)n(Cc2ccc(Cc3ccccc3C(=O)O)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.50
AGTR2 P50052 6/20 0.50
TSHR P16473 1/20 0.40

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
SCHEMBL6006867 0.87 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8105205 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105354 0.84 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8109091 0.84 AGTR1 (0.55) AGTR1AGTR2TSHR
SCHEMBL8105634 0.84 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8111085 0.83 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8109231 0.82 TSHR (0.41) AGTR1AGTR2TSHR
SCHEMBL8105696 0.81 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8103808 0.81 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8105234 0.81 AGTR1 (0.55) 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