SCHEMBL5315840

SCHEMBL5315840

CC(C)N(C(=O)CN1CC2CN(C[C@H](O)COc3ccc(C#N)cc3)CC(C1)O2)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.68
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 2/20 0.46
HPGD P15428 2/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GLA P06280 1/20 0.40

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
SCHEMBL2966221 0.87 KCNH2 (0.70) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2966219 0.87 KCNH2 (0.70) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2969492 0.86 KCNH2 (0.66) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2960609 0.86 KCNH2 (0.62) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2956759 0.84 KCNH2 (0.62) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL4137999 0.83 KCNH2 (0.65) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2968092 0.83 KCNH2 (0.60) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL2964698 0.83 KCNH2 (0.64) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL6151398 0.83 KCNH2 (0.64) KCNH2KDM4EALDH1A1MAPK1MEN1
SCHEMBL3130741 0.82 KCNH2 (0.68) KCNH2KDM4EALDH1A1MAPK1MEN1

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