SCHEMBL7478649

SCHEMBL7478649

N#CCCNC(=O)N1CC2CC(CN(CC(O)COc3ccc(C#N)cc3)C2)C1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
AGER Q15109 1/20 0.40
POLB P06746 2/20 0.39
PRMT5 O14744 1/20 0.39
WDR77 Q9BQA1 1/20 0.39
MAPK1 P28482 2/20 0.39
MAPT P10636 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HIF1A Q16665 2/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL6738303 0.91 KCNH2 (0.49) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6736864 0.91 KCNH2 (0.51) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6738449 0.91 KCNH2 (0.51) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6738998 0.91 KCNH2 (0.51) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739436 0.90 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6742834 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6734797 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739387 0.89 KCNH2 (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL7474790 0.88 KCNH2 (0.47) KCNH2KDM4EALDH1A1MEN1KMT2A
SCHEMBL6739920 0.87 MGLL (0.50) KCNH2KDM4EALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1192157-A1 BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-04-03 EP disclosed
WO-2000077000-A1 NEW BISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed