SCHEMBL1238517

SCHEMBL1238517

Cn1c(=O)ccc2cc(OCCCN(CCN3CCC(OCc4cccnc4)CC3)Cc3cccnc3)ccc21

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 15/20 0.69
▸ KCNJ5 P48544 6/20 0.42
▸ KCNJ3 P48549 6/20 0.42
▸ CHRM2 P08172 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ MET P08581 1/20 0.38

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 SCHEMBL15809221 0.99 KCNA5 (0.68) KCNA5KCNJ5KCNJ3CHRM2CHRM1
SCHEMBL1239285 0.97 KCNA5 (0.64) KCNA5KCNJ5KCNJ3CHRM2CHRM1
SCHEMBL1236846 0.96 KCNA5 (0.64) KCNA5KCNJ5KCNJ3CHRM2CHRM1
SCHEMBL1239034 0.96 KCNA5 (0.66) KCNA5KCNJ5KCNJ3
Hydrochloric Acid SCHEMBL15809339 0.96 KCNA5 (0.63) KCNA5KCNJ5KCNJ3CHRM2CHRM1
Hydrochloric Acid SCHEMBL15809246 0.96 KCNA5 (0.63) KCNA5KCNJ5KCNJ3CHRM2CHRM1
Hydrochloric Acid SCHEMBL15809259 0.96 KCNA5 (0.65) KCNA5KCNJ5KCNJ3
SCHEMBL1238702 0.93 KCNA5 (0.59) KCNA5KCNJ5KCNJ3CHRM2CHRM1
Hydrochloric Acid SCHEMBL15809184 0.93 KCNA5 (0.58) KCNA5KCNJ5KCNJ3CHRM2CHRM1
Hydrochloric Acid SCHEMBL15809427 0.92 KCNA5 (0.57) KCNA5KCNJ5KCNJ3MET

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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