SCHEMBL9528859

SCHEMBL9528859

CC#CCc1nc(O)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.38
AGTR2 P50052 7/20 0.38
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
SCHEMBL8105547 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9528944 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9533095 0.88 SMN1; SMN2 (0.39) AGTR1AGTR2
SCHEMBL9529849 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9528866 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528354 0.87 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9527390 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529023 0.87 AGTR1 (0.37) AGTR1AGTR2PPARG
SCHEMBL9528435 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9527388 0.86 AGTR1 (0.36) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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