SCHEMBL9529781

SCHEMBL9529781

C=CCCc1nc(C=S)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.39
AGTR2 P50052 11/20 0.39

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
SCHEMBL9529146 0.89 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL8540871 0.88 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9531159 0.87 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9527956 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9529014 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9531729 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527907 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9527619 0.86 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL9528679 0.86 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9528428 0.86 AGTR1 (0.38) 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 2 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
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