SCHEMBL9529113

SCHEMBL9529113

CC(C)CCc1nc(C(=O)Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.39
AGTR2 P50052 12/20 0.39

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
SCHEMBL9528860 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529383 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL6005839 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528717 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9528076 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9528726 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6006967 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9529471 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9528253 0.89 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9527137 0.88 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