SCHEMBL6317262

SCHEMBL6317262

CCOC(=O)N1CC2CN(CC(O)COc3ccc(C#N)cc3)CC(C1)C2=O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
POLB P06746 2/20 0.51
KCNH2 Q12809 1/20 0.49
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 3/20 0.48
HRH2 P25021 1/20 0.48
HRH1 P35367 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
USP2 O75604 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ABCB1 P08183 1/20 0.44
RECQL P46063 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 0.91 POLB (0.55) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6316328 0.88 KCNH2 (0.48) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6620975 0.88 MEN1 (0.52) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6317264 0.88 POLB (0.53) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6316718 0.87 MEN1 (0.53) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL2956759 0.87 KCNH2 (0.62) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL5965731 0.82 MEN1 (0.48) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL7963382 0.81 KCNH2 (0.47) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6096768 0.81 KCNH2 (0.49) MEN1KMT2APOLBKCNH2ALDH1A1
SCHEMBL6096348 0.80 KCNH2 (0.48) MEN1KMT2APOLBKCNH2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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