SCHEMBL8104929

SCHEMBL8104929

CCCc1nc(C(C)(F)F)nn1Cc1ccc(Cc2ccccc2C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.44
AGTR2 P50052 7/20 0.44
PPARG P37231 2/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL8104938 0.94 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8105642 0.91 AGTR1 (0.43) AGTR1AGTR2PPARGTSHR
SCHEMBL8109361 0.90 AGTR1 (0.42) AGTR1AGTR2PPARGTSHR
SCHEMBL6006799 0.86 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8105264 0.85 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8104894 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8105634 0.85 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8103510 0.84 AGTR1 (0.47) AGTR1AGTR2PPARGTSHR
SCHEMBL8105696 0.84 AGTR1 (0.50) AGTR1AGTR2PPARG
SCHEMBL8105643 0.83 TSHR (0.42) AGTR1AGTR2TSHR

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