SCHEMBL8105345

SCHEMBL8105345

CCCc1nc(C(F)(F)CC)nn1Cc1ccc(-c2cccc(-c3nnn[nH]3)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.35
AGTR2 P50052 2/20 0.35
PPARG P37231 2/20 0.34
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 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
SCHEMBL8105504 0.95 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8111183 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527409 0.94 AGTR1 (0.36) AGTR1AGTR2PPARGNR1H2NR1H3
SCHEMBL8111104 0.93 AGTR1 (0.35) AGTR1AGTR2PPARGNR1H2NR1H3
SCHEMBL8105333 0.92 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL8096122 0.92 AGTR1 (0.39) AGTR1AGTR2PPARG
SCHEMBL8096135 0.89 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL8103179 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105761 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8095780 0.88 AGTR1 (0.40) 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