SCHEMBL9528240

SCHEMBL9528240

CCc1nc(C(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.41
AGTR2 P50052 11/20 0.41
PPARG P37231 1/20 0.36

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
SCHEMBL9529105 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6006155 0.92 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9527105 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9528420 0.91 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9529685 0.90 AGTR1 (0.54) AGTR1AGTR2PPARG
SCHEMBL9528396 0.89 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL9532073 0.89 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL6006062 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL6006886 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529015 0.88 AGTR1 (0.37) 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