SCHEMBL9529104

SCHEMBL9529104

CCCCc1nc(C(C)CC)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.52
AGTR2 P50052 11/20 0.52

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
SCHEMBL9530074 0.97 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9532681 0.94 AGTR2 (0.45) AGTR1AGTR2
SCHEMBL9529685 0.93 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL6006189 0.91 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9699446 0.91 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9529105 0.91 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6004656 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9528396 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL6006204 0.90 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL8841895 0.90 AGTR1 (0.43) 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