SCHEMBL8105401

SCHEMBL8105401

CCCCc1nc(-c2ccsc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.52
AGTR2 P50052 10/20 0.52

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
SCHEMBL8104924 0.97 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8110883 0.95 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL6008041 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9699511 0.87 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8105825 0.86 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8104933 0.86 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8104903 0.86 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8104908 0.86 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL8104899 0.84 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8105456 0.84 AGTR1 (0.54) 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 5 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
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