SCHEMBL9529043

SCHEMBL9529043

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

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.36
AGTR2 P50052 8/20 0.36

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
SCHEMBL8109241 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529145 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9527166 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9527551 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL6004599 0.88 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9528973 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529719 0.87 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9527832 0.87 SMN1; SMN2 (0.40) AGTR1AGTR2
SCHEMBL9527474 0.87 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529684 0.87 AGTR1 (0.39) 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