SCHEMBL9529145

SCHEMBL9529145

CCC(C)c1nc(C(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.37
AGTR2 P50052 6/20 0.37
PPARG P37231 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE7A Q13946 1/20 0.33
PDE3A Q14432 1/20 0.33
PDE7B Q9NP56 1/20 0.33
USP1 O94782 1/20 0.33

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
SCHEMBL8109241 0.96 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL6006249 0.93 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6005725 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6005956 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6006945 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6005741 0.89 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL6004599 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9527551 0.89 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9528973 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529043 0.89 AGTR1 (0.36) 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