SCHEMBL9528679

SCHEMBL9528679

CC(C)CCc1nc(C=S)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.40
AGTR2 P50052 7/20 0.40

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
SCHEMBL9529795 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529146 0.90 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL9527956 0.88 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9527907 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9531783 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9527619 0.87 AGTR1 (0.50) AGTR1AGTR2
SCHEMBL8103142 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9529781 0.86 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9532073 0.86 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529523 0.86 AGTR1 (0.42) 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