SCHEMBL16457741

SCHEMBL16457741

COCCN1CC(C)(C)CN(CC2CC2)c2ccc(CN(CCn3ccc4oc(C)cc4c3=O)Cc3cccnc3C)cc21

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 12/20 0.55
▸ KCNJ5 P48544 9/20 0.43
▸ KCNJ3 P48549 9/20 0.43
▸ P2RX7 Q99572 1/20 0.31

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
SCHEMBL16458137 1.00 KCNA5 (0.55) KCNA5KCNJ5KCNJ3P2RX7
SCHEMBL12081205 0.86 KCNA5 (0.65) KCNA5KCNJ5KCNJ3
SCHEMBL12080339 0.86 KCNA5 (0.65) KCNA5KCNJ5KCNJ3
SCHEMBL16458096 0.85 KCNA5 (0.55) KCNA5KCNJ5KCNJ3P2RX7
SCHEMBL16457840 0.85 KCNA5 (0.55) KCNA5KCNJ5KCNJ3P2RX7
Hydrochloric Acid SCHEMBL12079956 0.80 KCNA5 (0.76) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL12080169 0.80 KCNA5 (0.61) KCNA5KCNJ5KCNJ3P2RX7
SCHEMBL12081143 0.80 KCNA5 (0.57) KCNA5KCNJ5KCNJ3P2RX7
SCHEMBL15986297 0.80 KCNA5 (0.57) KCNA5KCNJ5KCNJ3P2RX7
Hydrochloric Acid SCHEMBL12080970 0.80 KCNA5 (0.74) 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-B9 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2015-02-18 — — EP disclosed
EP-2467364-B1 NITROGEN-CONTAINING COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF ATRIAL FIBRILLATION OTSUKA PHARMA CO LTD (JP) 2014-04-16 — — EP disclosed
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