SCHEMBL5320727

SCHEMBL5320727

Cc1cccc(C)c1OCCN1CC2CN(CCNC(=O)CCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 2/20 0.45
KCNH2 Q12809 2/20 0.44
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTR1A P08908 5/20 0.38
DRD2 P14416 5/20 0.38
HTR7 P34969 4/20 0.38
HTR6 P50406 4/20 0.38
KCNA5 P22460 3/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
ABCB1 P08183 1/20 0.37
HPGD P15428 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5316212 0.85 KCNH2 (0.46) KCNH2KMT2ADRD2POLBMAPT
SCHEMBL5316942 0.83 LTA4H (0.46) KCNH2HTR1AABCB1HPGDABCG2
SCHEMBL5314436 0.81 KCNH2 (0.46) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5316722 0.80 KCNH2 (0.43) KCNH2KMT2AHTR1ADRD2POLB
SCHEMBL4669235 0.78 KCNH2 (0.44) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL4134193 0.77 KCNH2 (0.53) KCNH2MEN1KCNA5ALDH1A1
SCHEMBL4125747 0.77 KCNH2 (0.48) KCNH2DRD2
SCHEMBL4668152 0.75 KCNH2 (0.44) KCNH2HTR1ADRD2HTR7HTR6
SCHEMBL5315943 0.74 KCNH2 (0.51) KCNH2KMT2AMEN1HTR1ADRD2
SCHEMBL2967590 0.74 KCNH2 (0.44) KCNH2HTR1ADRD2HTR7HTR6

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