SCHEMBL9528396

SCHEMBL9528396

CCCCCc1nc(C(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.51
AGTR2 P50052 14/20 0.51
PPARG P37231 1/20 0.43

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
SCHEMBL9529685 0.97 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9527105 0.93 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL6005990 0.93 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9530074 0.93 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6006276 0.92 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6004822 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL6006189 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9529104 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6859445 0.90 AGTR1 (0.49) AGTR1AGTR2PPARG
SCHEMBL9528240 0.89 AGTR1 (0.41) AGTR1AGTR2PPARG

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