SCHEMBL8748416

SCHEMBL8748416

Bc1cnc(CNC(=O)OC(C)(C)C)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.48
CACNA1B Q00975 1/20 0.48
CACNA1C Q13936 1/20 0.48
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
GFER P55789 2/20 0.41
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RECQL P46063 1/20 0.39
NAMPT P43490 1/20 0.39
KDM4A O75164 1/20 0.39
BCHE P06276 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 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
SCHEMBL30590460 0.83 CACNA1H (0.46) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL1815335 0.82 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL19954225 0.82 CACNA1H (0.45) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL20630527 0.80 CACNA1H (0.43) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL19339578 0.76 L3MBTL1 (0.41) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL30590468 0.74 CACNA1H (0.51) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL15244694 0.74 CACNA1B (0.56) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL3794186 0.74 L3MBTL1 (0.48) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL29475670 0.73 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CKDM4ELMNA
SCHEMBL26361446 0.73 CACNA1H (0.53) CACNA1HCACNA1BCACNA1CKDM4ELMNA

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-2012068234-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2012-05-24 WO disclosed