SCHEMBL9738044

SCHEMBL9738044

CCCOC(OCCC)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(CC(C)(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.38
SLC33A1 O00400 3/20 0.37
AGTR2 P50052 1/20 0.34
PPARG P37231 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
SCHEMBL9738254 0.94 AGTR1 (0.36) AGTR1SLC33A1
SCHEMBL9739317 0.90 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9739375 0.89 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9740212 0.89 AGTR1 (0.35) AGTR1SLC33A1AGTR2PPARG
SCHEMBL9739176 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9739916 0.88 AGTR1 (0.34) AGTR1SLC33A1
SCHEMBL9738752 0.87 AGTR1 (0.38) AGTR1SLC33A1
SCHEMBL9738681 0.86 AGTR1 (0.38) AGTR1SLC33A1
SCHEMBL9738526 0.85 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9739279 0.85 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO claimed
WO-1992005161-A1 1,3,5-TRISUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-04-02 WO disclosed