SCHEMBL6987304

SCHEMBL6987304

COc1ccc(CCN2CC3CC(C2)CN(CC(COc2ccc(C#N)cc2)N(C)C(N)=O)C3)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.46
KCNH2 Q12809 5/20 0.39
MAPT P10636 1/20 0.37
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36

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
SCHEMBL7028336 0.85 KCNH2 (0.47) MCHR1KCNH2
SCHEMBL6995893 0.84 KCNH2 (0.40) KCNH2MMP2HRH3
SCHEMBL6990334 0.82 HRH2 (0.38) KCNH2MMP2HRH3
SCHEMBL7034656 0.82 MCHR1 (0.47) MCHR1KCNH2MMP2ANPEP
SCHEMBL6992363 0.80 KCNH2 (0.40) KCNH2MMP2HRH3
SCHEMBL7027091 0.80 MCHR1 (0.49) MCHR1KCNH2MAPTHRH3
SCHEMBL6994724 0.79 HRH2 (0.42) KCNH2HRH3
SCHEMBL6093884 0.79 KCNH2 (0.49) MCHR1KCNH2
SCHEMBL6093886 0.79 KCNH2 (0.49) MCHR1KCNH2
SCHEMBL6742864 0.77 KCNH2 (0.44) MCHR1KCNH2MAPT

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