SCHEMBL5319733

SCHEMBL5319733

N#Cc1ccc(CCN2CC3CN(CC(=O)NCc4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
KCNH2 Q12809 4/20 0.46
KCNJ1 P48048 3/20 0.46
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
DRD2 P14416 8/20 0.41
DRD3 P35462 3/20 0.41
HPGD P15428 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
HTR1A P08908 5/20 0.39
HTR7 P34969 2/20 0.39
HTR6 P50406 2/20 0.39

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
SCHEMBL5317453 0.95 KMT2A (0.48) POLBKCNH2KCNJ1CA1CA2
SCHEMBL5316522 0.94 POLB (0.43) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5314874 0.93 POLB (0.54) POLBCA12CA1CA2CA7
SCHEMBL5315892 0.93 POLB (0.45) POLBKCNH2KCNJ1CA12CA1
SCHEMBL5316699 0.92 CA1 (0.44) POLBKCNH2KCNJ1CA1CA2
SCHEMBL5331515 0.92 LMNA (0.50) POLBKCNH2CA1CA2CA7
SCHEMBL5315867 0.91 ERCC1 (0.44) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5314570 0.90 HTR1A (0.48) POLBCA1CA2CA7DRD2
SCHEMBL5340709 0.90 KCNH2 (0.41) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5314851 0.89 POLB (0.53) POLBCA12CA1CA2CA7

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