SCHEMBL8105631

SCHEMBL8105631

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

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.44
AGTR2 P50052 11/20 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
SCHEMBL8109323 0.86 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8109153 0.84 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL6007683 0.83 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8111253 0.83 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9527838 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8105156 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9528282 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9527117 0.81 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8105401 0.81 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6007962 0.81 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