SCHEMBL5315892

SCHEMBL5315892

C[Si](C)(C)c1ccc(CCN2CC3CN(CC(=O)NCc4ccc(C#N)cc4)CC(C2)O3)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
KCNH2 Q12809 4/20 0.40
KCNJ1 P48048 3/20 0.40
DRD2 P14416 7/20 0.39
DRD3 P35462 4/20 0.39
HPGD P15428 1/20 0.38
CHRNA7 P36544 1/20 0.38
HTR1A P08908 3/20 0.37
ROCK2 O75116 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
ENPP2 Q13822 1/20 0.37
IDO1 P14902 1/20 0.36
EPHX2 P34913 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
SCHEMBL5319733 0.93 POLB (0.48) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5316522 0.89 POLB (0.43) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5317453 0.88 KMT2A (0.48) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5316699 0.88 CA1 (0.44) POLBKCNH2KCNJ1CHRNA7CA1
SCHEMBL5331515 0.88 LMNA (0.50) POLBKCNH2DRD2HTR1ACA1
SCHEMBL5314874 0.87 POLB (0.54) POLBDRD2HPGDHTR1AROCK2
SCHEMBL5315867 0.85 ERCC1 (0.44) POLBKCNH2KCNJ1DRD2DRD3
SCHEMBL5316954 0.84 POLB (0.44) POLBDRD2HPGDHTR1AIDO1
SCHEMBL5314570 0.83 HTR1A (0.48) POLBDRD2HPGDHTR1ACA1
SCHEMBL5315934 0.83 MCHR1 (0.48) POLBKCNH2DRD2HTR1A

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