SCHEMBL5374500

SCHEMBL5374500

CC(C)(C)C(=O)NCCN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.70
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
MAPK1 P28482 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.42
GLA P06280 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
Azd7009 SCHEMBL31478886 0.89 KCNH2 (0.68) KCNH2KDM4EALDH1A1KMT2AMEN1
Azd7009 SCHEMBL6002445 0.89 KCNH2 (0.68) KCNH2KDM4EALDH1A1KMT2AMEN1
Azd7009 SCHEMBL2966851 0.89 KCNH2 (0.68) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL3605800 0.89 KCNH2 (0.72) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL1619314 0.89 KCNH2 (0.72) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL13701327 0.85 KCNH2 (0.67) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2960609 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL4128937 0.83 KCNH2 (0.67) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL4134400 0.83 KCNH2 (0.67) KCNH2KDM4EALDH1A1KMT2AMEN1
SCHEMBL2966219 0.83 KCNH2 (0.70) KCNH2KDM4EALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed