SCHEMBL726554

SCHEMBL726554

COc1ccc(CC(=O)NCc2ccccc2-c2ccccc2OC(=O)NCCc2cccnc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.77
KCNH2 Q12809 1/20 0.77
KCNK5 O95279 1/20 0.49
KCNA5 P22460 1/20 0.49
KCNK17 Q96T54 1/20 0.49
KCNK9 Q9NPC2 1/20 0.49
NPC1 O15118 3/20 0.47
KMT2A Q03164 2/20 0.47
GAA P10253 3/20 0.47
RAB9A P51151 2/20 0.47
TAAR1 Q96RJ0 2/20 0.47
MEN1 O00255 1/20 0.47
PTPN1 P18031 2/20 0.46
DGAT2 Q96PD7 1/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.43

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
SCHEMBL29778218 0.87 KCNK3 (1.00) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL498292 0.87 KCNK3 (1.00) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL12434086 0.80 KCNK3 (0.84) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL726080 0.77 KCNA5 (0.77) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL12434102 0.77 KCNK3 (0.81) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL12434454 0.76 KCNK3 (0.81) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL16250691 0.74 NPC1 (0.62) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL2634370 0.72 KCNK3 (0.66) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL12434083 0.71 KCNK3 (0.73) KCNK3KCNH2KCNK5KCNA5KCNK17
SCHEMBL12434461 0.71 KCNK3 (0.72) KCNK3KCNH2KCNK5KCNA5KCNK17

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438045-B1 CRYSTALLINE PHASES OF 2'-{[2-(4-METHOXY-PHENYL)-ACETYLAMINO]-METHYL}-BIPHENYL-2-CARBOXYLIC ACID (2-PYRIDIN-3-YL-ETHYL)-AMIDE SANOFI AVENTIS DEUTSCHLAND (DE) 2016-10-05 EP claimed
JP-4658919-B2 2011-03-23 JP claimed
EP-1605976-B1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP claimed
EP-1720549-A1 KV1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY Sanofi-Aventis Deutschland GmbH (DE) 2006-11-15 EP claimed
JP-2006520342-A 2006-09-07 JP claimed
EP-1670551-A1 COMBINATION OF PHENYLCARBOXAMIDES WITH BETA-ADRENERGIC RECEPTOR BLOCKERS AND USE THEREOF FOR THE TREATMENT OF ATRIAL ARRHYTHMIAS Sanofi-Aventis Deutschland GmbH (DE) 2006-06-21 EP claimed
EP-1605976-A1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA Sanofi-Aventis Deutschland GmbH (DE) 2005-12-21 EP claimed
WO-2005084675-A1 KV1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO claimed
WO-2005025674-A1 COMBINATION OF PHENYLCARBOXAMIDES WITH BETA-ADRENERGIC RECEPTOR BLOCKERS AND USE THEREOF FOR THE TREATMENT OF ATRIAL ARRHYTHMIAS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-03-24 WO claimed
WO-2004082716-A1 PHENYLCARBOXYL ACID AMIDES AND IKr CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-30 WO claimed
EP-1605976-B1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed
EP-1720549-A1 KV1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY Sanofi-Aventis Deutschland GmbH (DE) 2006-11-15 EP disclosed
EP-1670551-A1 COMBINATION OF PHENYLCARBOXAMIDES WITH BETA-ADRENERGIC RECEPTOR BLOCKERS AND USE THEREOF FOR THE TREATMENT OF ATRIAL ARRHYTHMIAS Sanofi-Aventis Deutschland GmbH (DE) 2006-06-21 EP disclosed
EP-1605976-A1 PHENYLCARBOXYL ACID AMIDES AND IK r CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA Sanofi-Aventis Deutschland GmbH (DE) 2005-12-21 EP disclosed
WO-2005084675-A1 KV1.5-BLOCKER FOR THE SELECTIVE INCREASE OF ATRIAL CONTRACTILITY AND TREATMENT OF CARDIAC INSUFFICIENCY SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-09-15 WO disclosed
WO-2005025674-A1 COMBINATION OF PHENYLCARBOXAMIDES WITH BETA-ADRENERGIC RECEPTOR BLOCKERS AND USE THEREOF FOR THE TREATMENT OF ATRIAL ARRHYTHMIAS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-03-24 WO disclosed
WO-2004082716-A1 PHENYLCARBOXYL ACID AMIDES AND IKr CHANNEL INHIBITORS COMBINATION AND THE USE THEREOF FOR TREATING ATRIAL ARRHYTHMIA SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-09-30 WO disclosed