SCHEMBL8103136

SCHEMBL8103136

CC(C)Cc1nc(CC(C)C)n(Cc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 2/20 0.36
CNR2 P34972 2/20 0.33
NR1H2 P55055 1/20 0.32
TRPV1 Q8NER1 3/20 0.31
CNR1 P21554 1/20 0.31
HIF1A Q16665 1/20 0.31
MGLL Q99685 3/20 0.31
NMT1 P30419 1/20 0.30

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
SCHEMBL8103520 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8095769 0.92 AGTR1 (0.37) AGTR1AGTR2CNR2NR1H2
SCHEMBL8105093 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8105062 0.90 AGTR1 (0.34) AGTR1AGTR2CNR2TRPV1CNR1
SCHEMBL8109201 0.87 AGTR1 (0.35) AGTR1AGTR2CNR2NR1H2
SCHEMBL8095973 0.86 AGTR1 (0.40) AGTR1AGTR2CNR2NR1H2
SCHEMBL8105778 0.85 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8103250 0.85 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8109187 0.85 AGTR1 (0.39) AGTR1AGTR2CNR2
SCHEMBL8096135 0.84 AGTR1 (0.33) 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 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