SCHEMBL8103617

SCHEMBL8103617

CCCc1nc(C(C)CC)n(Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
PDE5A O76074 1/20 0.32
PPARG P37231 1/20 0.31

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
SCHEMBL8109199 0.95 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8110866 0.93 AGTR1 (0.33) AGTR1AGTR2PDE5A
SCHEMBL8105158 0.91 PDE5A (0.33) AGTR1AGTR2PDE5A
SCHEMBL8096169 0.88 PDE5A (0.33) PDE5A
SCHEMBL8110826 0.86 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL8104966 0.86 PDE5A (0.31) PDE5A
SCHEMBL8103557 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8103371 0.85 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL8103520 0.85 AGTR1 (0.41) AGTR1AGTR2PPARG
SCHEMBL8105658 0.85 PDE5A (0.34) PDE5A

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