SCHEMBL6992363

SCHEMBL6992363

CCS(=O)(=O)CCCN1CC2CC(C1)CN(CC(COc1ccc(C#N)cc1)N(C)C(N)=O)C2

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.40
HRH2 P25021 10/20 0.38
HRH1 P35367 10/20 0.38
HRH3 Q9Y5N1 6/20 0.38
KDM1A O60341 1/20 0.35
MMP2 P08253 4/20 0.35
MMP3 P08254 4/20 0.35
POLB P06746 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL6995893 0.87 KCNH2 (0.40) KCNH2HRH2HRH1HRH3KDM1A
SCHEMBL6994724 0.85 HRH2 (0.42) KCNH2HRH2HRH1HRH3KDM1A
SCHEMBL6990334 0.85 HRH2 (0.38) KCNH2HRH2HRH1HRH3KDM1A
SCHEMBL6989126 0.84 KCNH2 (0.54) KCNH2HRH2HRH1HRH3POLB
SCHEMBL6987304 0.80 MCHR1 (0.46) KCNH2HRH3MMP2
SCHEMBL7030390 0.80 KCNH2 (0.43) KCNH2HRH2HRH1HRH3MMP2
SCHEMBL6989155 0.79 HRH3 (0.48) HRH2HRH1HRH3MEN1
SCHEMBL7089730 0.78 KCNA5 (0.36) KCNH2KDM1AMMP2MMP3MEN1
SCHEMBL6094368 0.77 HRH3 (0.45) KCNH2HRH2HRH1HRH3POLB
SCHEMBL6094373 0.77 HRH3 (0.45) KCNH2HRH2HRH1HRH3POLB

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