SCHEMBL8105633

SCHEMBL8105633

CCC(F)(F)c1nc(CC(C)C)n(Cc2ccc(Cc3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
ALOX5AP P20292 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
SCHEMBL8103556 0.93 AGTR1 (0.34) AGTR1AGTR2ALOX5AP
SCHEMBL8103684 0.92 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8103484 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8103357 0.91 AGTR1 (0.35) AGTR1AGTR2ALOX5AP
SCHEMBL8105271 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8103509 0.88 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8096126 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8111124 0.86
SCHEMBL8096141 0.86 CNR2 (0.31)
SCHEMBL8109322 0.86 AGTR1 (0.35) 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