SCHEMBL9738752

SCHEMBL9738752

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

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.38
SLC33A1 O00400 3/20 0.37

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
SCHEMBL9738118 0.94 AGTR1 (0.37) AGTR1SLC33A1
SCHEMBL9738681 0.92 AGTR1 (0.38) AGTR1SLC33A1
SCHEMBL9738646 0.92 AGTR1 (0.42) AGTR1
SCHEMBL9740825 0.91 AGTR1 (0.38) AGTR1SLC33A1
SCHEMBL9739610 0.90 AGTR1 (0.49) AGTR1
SCHEMBL9739156 0.89 AGTR1 (0.37) AGTR1
SCHEMBL9738343 0.89 AGTR1 (0.35) AGTR1SLC33A1
SCHEMBL9738665 0.88 AGTR1 (0.36) AGTR1SLC33A1
SCHEMBL9739795 0.87 AGTR1 (0.38) AGTR1SLC33A1
SCHEMBL9738044 0.87 AGTR1 (0.38) AGTR1SLC33A1

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