SCHEMBL8105261

SCHEMBL8105261

CC#CCc1nc(C(F)(F)CCC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.39
AGTR2 P50052 4/20 0.39
PPARG P37231 1/20 0.32

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
SCHEMBL9532892 0.95 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9527253 0.93 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL8103153 0.90 AGTR1 (0.32) AGTR1AGTR2
SCHEMBL9529726 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL8105615 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8104949 0.89 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9529978 0.89 AGTR1 (0.38) AGTR1AGTR2PPARG
SCHEMBL9529023 0.88 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL8105258 0.88 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9552368 0.87 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