SCHEMBL9740251

SCHEMBL9740251

CC(C)OC(C)(OC(C)C)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1.CCC(OC(C)C)(OC(C)C)c1nc(Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)n(C2CCCCC2)n1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC33A1 O00400 2/20 0.32

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
SCHEMBL9738521 0.90 SLC33A1 (0.35) SLC33A1
SCHEMBL9737781 0.89 SLC33A1 (0.35) SLC33A1
SCHEMBL9738379 0.88 SLC33A1 (0.36) SLC33A1
SCHEMBL9553347 0.88 SLC33A1 (0.35) SLC33A1
SCHEMBL9738152 0.87 SLC33A1 (0.35) SLC33A1
SCHEMBL9739848 0.86 SLC33A1 (0.35) SLC33A1
SCHEMBL9738105 0.86 SLC33A1 (0.34) SLC33A1
SCHEMBL9739399 0.86 AGTR1 (0.32)
SCHEMBL9739582 0.86 SLC33A1 (0.36) SLC33A1
SCHEMBL9739362 0.85 SLC33A1 (0.34) SLC33A1

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