SCHEMBL5315403

SCHEMBL5315403

[CH2]CNC(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CNR1 P21554 1/20 0.45
FFAR1 O14842 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
POLB P06746 4/20 0.43
MAPT P10636 1/20 0.43
ABCB1 P08183 1/20 0.42
HPGD P15428 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
MMP12 P39900 1/20 0.41
MMP13 P45452 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HTT P42858 1/20 0.41
EPHX2 P34913 1/20 0.40
KCNJ1 P48048 1/20 0.40

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
SCHEMBL2582603 0.80 EPHX2 (0.47) HDAC1HDAC6CNR1FFAR1SAE1
SCHEMBL6170108 0.80 LOXL2 (0.52) HDAC1HDAC6CNR1FFAR1SAE1
SCHEMBL1507376 0.78 ALDH1A1 (0.57) FFAR1SAE1UBA2SMN1; SMN2ALDH1A1
SCHEMBL5196581 0.78 HDAC2 (0.63) HDAC1HDAC6ALDH1A1MAPTHPGD
SCHEMBL7338789 0.77 FFAR1 (0.53) CNR1FFAR1SAE1UBA2MMP12
SCHEMBL6361557 0.76 FFAR1 (0.47) HDAC1HDAC6CNR1FFAR1SAE1
SCHEMBL2578755 0.76 HDAC1 (0.48) HDAC1HDAC6CNR1FFAR1SAE1
SCHEMBL1337387 0.75 FFAR1 (0.69) FFAR1MMP12MMP13HTT
SCHEMBL8711245 0.75 HDAC1 (0.44) HDAC1HDAC6CNR1FFAR1SAE1
SCHEMBL10967104 0.74 POLB (0.72) SMN1; SMN2ALDH1A1POLBMAPTHPGD

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