SCHEMBL5315430

SCHEMBL5315430

CC(C)(C)OC(=O)N1CC2CN(CC(=O)NCc3ccc(C#N)cc3)CC(C1)O2

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
NAMPT P43490 1/20 0.44
GPR119 Q8TDV5 4/20 0.43
EGLN2 Q96KS0 1/20 0.41
EPHX2 P34913 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
CETP P11597 2/20 0.40
HTR1A P08908 3/20 0.39
DRD2 P14416 3/20 0.39
HPGD P15428 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL5314874 0.87 POLB (0.54) POLBEPHX2SMN1; SMN2KMT2AHTR1A
SCHEMBL5318125 0.85 POLB (0.49) POLBEPHX2SMN1; SMN2KMT2AHTR1A
SCHEMBL3121813 0.85 GPR119 (0.48) NAMPTGPR119EGLN2SMN1; SMN2MEN1
SCHEMBL5316551 0.85 POLB (0.48) POLBEPHX2SMN1; SMN2MEN1KMT2A
SCHEMBL3120225 0.84 NAMPT (0.45) NAMPTGPR119EGLN2EPHX2MEN1
Hydrochloric Acid SCHEMBL4667417 0.84 GPR119 (0.47) NAMPTGPR119EGLN2SMN1; SMN2MEN1
SCHEMBL5314851 0.82 POLB (0.53) POLBCYP2C19KMT2ADRD2HPGD
SCHEMBL5316192 0.82 HTT (0.52) POLBMEN1KMT2AHTR1ADRD2
SCHEMBL5319733 0.81 POLB (0.48) POLBKMT2AHTR1ADRD2HPGD
SCHEMBL2967666 0.80 GPR119 (0.44) NAMPTGPR119EGLN2CYP2C19HTR1A

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 claimed