SCHEMBL8105315

SCHEMBL8105315

CCCCc1nc(C)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.59
AGTR2 P50052 12/20 0.59

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
SCHEMBL6007012 0.88 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL9738591 0.85 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9739525 0.82 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8105755 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9741307 0.82 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8841911 0.82 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8841636 0.81 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL8841936 0.80 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9085544 0.79 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL6007216 0.79 AGTR1 (0.72) 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