SCHEMBL9529086

SCHEMBL9529086

CCCc1nc(CC2CCCCC2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.50
AGTR2 P50052 7/20 0.50

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
SCHEMBL6005826 0.95 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9529905 0.94 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9528991 0.93 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9531818 0.91 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL6004864 0.91 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8841544 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL8841474 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL8841572 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8842241 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL6005534 0.89 AGTR1 (0.56) 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