SCHEMBL9527474

SCHEMBL9527474

CCC(C)c1nc(CCS)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.42
AGTR2 P50052 7/20 0.42

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
SCHEMBL9527166 0.93 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8110826 0.93 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9529575 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8105356 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL8105203 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6006251 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9528973 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529818 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6006964 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL6005740 0.89 AGTR1 (0.45) 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