SCHEMBL9528560

SCHEMBL9528560

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.42
AGTR2 P50052 6/20 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
SCHEMBL9528931 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8111268 0.91 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9529569 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL6005897 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9700546 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL8105263 0.90 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9527819 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL6006172 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL8105191 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529246 0.89 AGTR1 (0.51) 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