SCHEMBL9528567

SCHEMBL9528567

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.41
AGTR2 P50052 7/20 0.41
PPARG P37231 1/20 0.34

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
SCHEMBL8105374 0.93 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9528254 0.91 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL8105598 0.90 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9700670 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL8105202 0.89 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9527543 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9531032 0.88 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL8103142 0.88 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9527631 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL8103532 0.87 AGTR1 (0.46) 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