SCHEMBL6989049

SCHEMBL6989049

CC(=O)Nc1ccc(C(=O)NCCN2CC3CC(C2)CN(CC(COc2ccc(C#N)cc2)OC(C)=O)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
GLA P06280 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PGR P06401 1/20 0.39
POLB P06746 1/20 0.39
DRD2 P14416 4/20 0.38
DRD3 P35462 4/20 0.38
JAK2 O60674 1/20 0.38
EPHX2 P34913 1/20 0.38
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37

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
SCHEMBL6993767 0.90 KCNH2 (0.51) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL7030896 0.87 NAMPT (0.41) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL7030903 0.83 NAMPT (0.40) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL6995821 0.79 KCNH2 (0.53) NAMPTKCNH2HRH2HRH1CD274
SCHEMBL7036069 0.78 KCNH2 (0.52) KCNH2HRH2HRH1CD274GLA
SCHEMBL7028488 0.77 CD274 (0.61) NAMPTCD274DRD3EPHX2MKNK1
SCHEMBL6989327 0.75 KCNH2 (0.49) KCNH2CD274POLBHTT
SCHEMBL7031260 0.72 KCNH2 (0.58) KCNH2GLAPOLBHTTSMN1; SMN2
SCHEMBL6997502 0.72 KCNH2 (0.46) KCNH2HRH2HRH1CD274POLB
SCHEMBL6997557 0.71 CCR3 (0.48) NAMPTHRH2HRH1CD274DRD2

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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed