SCHEMBL8095811

SCHEMBL8095811

C/C=C/Cc1nc(C(F)(F)CCC)nn1Cc1ccc(Cc2ccccc2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.38
AGTR2 P50052 11/20 0.38
TSHR P16473 1/20 0.38
PPARG P37231 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35

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
SCHEMBL8095813 1.00 AGTR1 (0.38) AGTR1AGTR2TSHRPPARGCA1
SCHEMBL8105643 0.89 TSHR (0.42) AGTR1AGTR2TSHR
SCHEMBL8109361 0.88 AGTR1 (0.42) AGTR1AGTR2TSHRPPARG
SCHEMBL6007144 0.88 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL6007146 0.88 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8105634 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL8104853 0.86 CA1 (0.37) AGTR1AGTR2PPARGCA1CA2
SCHEMBL8104852 0.86 CA1 (0.37) AGTR1AGTR2PPARGCA1CA2
SCHEMBL8095784 0.86 AGTR1 (0.47) AGTR1AGTR2TSHR
SCHEMBL8105696 0.86 AGTR1 (0.50) AGTR1AGTR2PPARG

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