SCHEMBL5316232

SCHEMBL5316232

CN(CCN1CC2CNCC(C1)O2)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 3/20 0.42
KCNH2 Q12809 2/20 0.40
NR3C2 P08235 1/20 0.40
ALDH1A1 P00352 1/20 0.39
EGLN1 Q9GZT9 5/20 0.39
KDM1A O60341 2/20 0.37
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
PDK2 Q15119 4/20 0.37
CD274 Q9NZQ7 1/20 0.36
NSD3 Q9BZ95 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
SCHEMBL5341837 0.86 NSD2 (0.41) NSD2KCNH2NR3C2ALDH1A1EGLN1
SCHEMBL5317641 0.83 MEN1 (0.42) NSD2KCNH2
SCHEMBL3116828 0.79 SIGMAR1 (0.43) KCNH2KDM1AHRH2HRH1HRH3
Hydrochloric Acid SCHEMBL3125607 0.78 SIGMAR1 (0.42) KCNH2KDM1AHRH2HRH1HRH3
SCHEMBL4516189 0.78 HRH1 (0.36) KCNH2KDM1AHRH2HRH1HRH3
SCHEMBL5314444 0.77 NSD2 (0.41) NSD2KCNH2NR3C2ALDH1A1
SCHEMBL5319877 0.77 KCNH2 (0.39) NSD2KCNH2NR3C2EGLN1HRH2
SCHEMBL4520264 0.77 HRH2 (0.46) KCNH2ALDH1A1HRH2HRH1HRH3
SCHEMBL5316853 0.76 FAAH (0.40) NSD2KCNH2
SCHEMBL5316884 0.76 KCNH2 (0.38) NSD2KCNH2

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
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO claimed
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed