SCHEMBL8104900

SCHEMBL8104900

CCCCCc1nc(C(F)(F)CCC)nn1Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.40
AGTR2 P50052 8/20 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
SCHEMBL8105761 0.97 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8095780 0.97 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8103179 0.94 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8111183 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527409 0.94 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8096122 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8096147 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8109348 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8105504 0.91 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8111103 0.91 AGTR1 (0.33) 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