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Sugi Predict / Compounds / SCHEMBL1239119

SCHEMBL1239119

SCHEMBL1239119

CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CN(CCn3ccc4oc(C)cc4c3=O)Cc3cccnc3CN(C)C)ccc21

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 20/20 0.85
▸ KCNJ5 P48544 17/20 0.70
▸ KCNJ3 P48549 17/20 0.70

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
Hydrochloric Acid SCHEMBL12080943 0.99 KCNA5 (0.84) KCNA5KCNJ5KCNJ3
SCHEMBL1239443 0.93 KCNA5 (0.88) KCNA5KCNJ5KCNJ3
SCHEMBL1236818 0.93 KCNA5 (0.84) KCNA5KCNJ5KCNJ3
SCHEMBL1239957 0.92 KCNA5 (1.00) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL12081211 0.92 KCNA5 (0.83) KCNA5KCNJ5KCNJ3
SCHEMBL12081224 0.92 KCNA5 (0.83) KCNA5KCNJ5KCNJ3
SCHEMBL12081349 0.92 KCNA5 (0.89) KCNA5KCNJ5KCNJ3
SCHEMBL12080916 0.92 KCNA5 (0.82) KCNA5KCNJ5KCNJ3
SCHEMBL12079977 0.91 KCNA5 (0.81) KCNA5KCNJ5KCNJ3
SCHEMBL12080976 0.90 KCNA5 (0.81) KCNA5KCNJ5KCNJ3

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-2467364-A2 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION Otsuka Pharmaceutical Co., Ltd. (JP) 2012-06-27 — — EP disclosed
WO-2011021726-A2 NITROGEN-CONTAINING COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2011-02-24 — — WO disclosed
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