SCHEMBL6316723

SCHEMBL6316723

N#Cc1ccc(OCC(O)CN2CC3CN(C(=O)O)CC(C2)C3O)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 2/20 0.52
KCNH2 Q12809 1/20 0.50
POLB P06746 2/20 0.47
MAPK1 P28482 3/20 0.46
MAPT P10636 1/20 0.44
AGER Q15109 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2B Q13224 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ABCB1 P08183 1/20 0.42

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
SCHEMBL6095179 0.94 MEN1 (0.56) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6317973 0.88 GRIN1 (0.40) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6618326 0.87 MEN1 (0.49) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6317264 0.87 POLB (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6622630 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6316718 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6619543 0.87 MEN1 (0.53) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL2964698 0.86 KCNH2 (0.64) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6151398 0.86 KCNH2 (0.64) MEN1KMT2AKDM4EALDH1A1KCNH2
SCHEMBL6610442 0.86 KCNH2 (0.48) MEN1KMT2AKDM4EALDH1A1KCNH2

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 5 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-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
WO-2000076999-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed