SCHEMBL30047572

SCHEMBL30047572

O=C1COc2ccc(N3CC(CCO)OC3=O)nc2N1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.60

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
SCHEMBL16180195 1.00 KCNH2 (0.60) KCNH2
SCHEMBL16180193 1.00 KCNH2 (0.60) KCNH2
SCHEMBL30046981 1.00 KCNH2 (0.60) KCNH2
SCHEMBL15791849 0.94 KCNH2 (0.58) KCNH2
SCHEMBL15791847 0.94 KCNH2 (0.58) KCNH2
SCHEMBL30047331 0.94 KCNH2 (0.58) KCNH2
SCHEMBL15791867 0.94 KCNH2 (0.58) KCNH2
SCHEMBL15791813 0.93 KCNH2 (0.57) KCNH2
SCHEMBL15791816 0.93 KCNH2 (0.57) KCNH2
SCHEMBL19510094 0.91 NR3C2 (0.57) KCNH2

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
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed