SCHEMBL9528860

SCHEMBL9528860

CCC(=O)c1nc(CCC(C)C)n(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.40
AGTR2 P50052 11/20 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
SCHEMBL9528076 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9528253 0.92 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9529113 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9529476 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6005839 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9530916 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9527838 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9529631 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9528726 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527644 0.89 AGTR1 (0.49) 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