SCHEMBL8103364

SCHEMBL8103364

CC(C)CCc1nc(C(C)(F)F)nn1Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.31
AGTR2 P50052 1/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
CNR2 P34972 1/20 0.30

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
SCHEMBL8105333 0.93 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL8105300 0.92
SCHEMBL8111243 0.91 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL8109201 0.91 AGTR1 (0.35) AGTR1AGTR2NR1H2NR1H3CNR2
SCHEMBL8110984 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8111104 0.90 AGTR1 (0.35) AGTR1AGTR2NR1H2NR1H3
SCHEMBL8103537 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105374 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8096147 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8095973 0.87 AGTR1 (0.40) AGTR1AGTR2NR1H2CNR2

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