SCHEMBL8105583

SCHEMBL8105583

CC(C)(C)c1nc(C(C)(C)C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.37
AGTR2 P50052 5/20 0.37
PPARG P37231 1/20 0.33

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
SCHEMBL8096341 0.93 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9529020 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8096305 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9527739 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL6004729 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9527091 0.89 SMN1; SMN2 (0.42) AGTR1AGTR2
SCHEMBL9527819 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527631 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529739 0.88 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8095699 0.88 AGTR1 (0.39) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3098772-B2 2000-10-16 JP claimed
EP-0527851-B1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS SEARLE & CO (US) 1998-12-23 EP 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-B1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS SEARLE & CO (US) 1998-12-23 EP disclosed
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