SCHEMBL5316192

SCHEMBL5316192

N#Cc1ccc(CNC(=O)CN2CC3CN(CC(=O)NCc4ccccc4)CC(C2)O3)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.52
USP2 O75604 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.50
GAA P10253 1/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
MAOA P21397 1/20 0.46
MCL1 Q07820 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HTR1A P08908 2/20 0.45
DRD2 P14416 2/20 0.45
HTR7 P34969 2/20 0.45
HTR6 P50406 2/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL5315856 0.96 POLB (0.49) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5314874 0.95 POLB (0.54) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5314570 0.92 HTR1A (0.48) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5316551 0.91 POLB (0.48) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5314851 0.91 POLB (0.53) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5316850 0.89 HTR1A (0.49) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5319026 0.89 HTR1A (0.49) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5314900 0.89 KCNA5 (0.55) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5319733 0.89 POLB (0.48) HTTUSP2ALDH1A1KDM4EGLA
SCHEMBL5318143 0.88 POLB (0.50) HTTUSP2ALDH1A1KDM4EGLA

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