SCHEMBL6317264

SCHEMBL6317264

CCOC(=O)N1CC2CN(CC(O)COc3ccc(C#N)cc3)CC(C1)C2O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
USP2 O75604 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 1/20 0.45
RECQL P46063 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL6093889 0.95 POLB (0.55) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6610347 0.88 POLB (0.51) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6610442 0.88 KCNH2 (0.48) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6620975 0.88 MEN1 (0.52) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6317262 0.88 MEN1 (0.52) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6316723 0.87 MEN1 (0.53) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL2956759 0.87 KCNH2 (0.62) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6096768 0.85 KCNH2 (0.49) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6096348 0.84 KCNH2 (0.48) POLBMEN1KMT2AKCNH2ALDH1A1
SCHEMBL6095447 0.83 KCNH2 (0.47) POLBMEN1KMT2AKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP claimed
US-6887881-B1 Bispidine compounds useful in the treatment of cardiac arrythmias ASTRAZENECA AB (SE) 2005-05-03 US disclosed
EP-1047695-B1 NOVEL BISPIDINE ANTIARRHYTHMIC COMPOUNDS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-B1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2004-03-17 EP disclosed
EP-1192154-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
US-6291475-B1 3,7-DIAZABICYCLO(3.3.1)NONANE DERIVATIVES ASTRAZENECA AB (SE) 2001-09-18 US disclosed
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed