SCHEMBL5314744

SCHEMBL5314744

N#Cc1ccc(OCCN2CC3CN(CCNC(=O)c4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.54
KCNH2 Q12809 2/20 0.52
HRH2 P25021 4/20 0.51
HRH1 P35367 4/20 0.51
KCNA5 P22460 4/20 0.47
GLA P06280 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
PRKAA2 P54646 1/20 0.44
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
CCR3 P51677 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL5316918 0.95 KCNA5 (0.54) CD274KCNH2HRH2HRH1KCNA5
SCHEMBL5316019 0.91 KCNH2 (0.54) CD274KCNH2HRH2HRH1KCNA5
SCHEMBL4134193 0.89 KCNH2 (0.53) CD274KCNH2HRH2HRH1KCNA5
SCHEMBL5318392 0.87 CD274 (0.58) CD274KCNH2MKNK1MKNK2CCR3
SCHEMBL5317369 0.86 KCNH2 (0.60) CD274KCNH2HRH2HRH1PRKAA2
SCHEMBL5317499 0.85 CD274 (0.56) CD274KCNH2MKNK1MKNK2CCR3
SCHEMBL5318987 0.85 CD274 (0.56) CD274KCNH2MKNK1MKNK2CCR3
SCHEMBL5315942 0.85 CD274 (0.56) CD274KCNH2MKNK1MKNK2CCR3
SCHEMBL5316471 0.85 CD274 (0.56) CD274KCNH2PRKAA2MKNK1MKNK2
SCHEMBL4137801 0.84 KCNH2 (0.59) KCNH2HRH2HRH1HRH3

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