SCHEMBL6868433

SCHEMBL6868433

CC(=O)N1CCOC(I)C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
PDK1 Q15118 5/20 0.36
CHRNB2 P17787 3/20 0.36
CHRNA3 P32297 3/20 0.36
CHRNA4 P43681 3/20 0.36
CHRNB3 Q05901 1/20 0.36
CHRNA6 Q15825 1/20 0.36
CYP1A2 P05177 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CHRNB4 P30926 2/20 0.35
KDM4E B2RXH2 1/20 0.33
CHRNA7 P36544 1/20 0.33
GLRA1 P23415 1/20 0.32
MAPK1 P28482 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL12331002 0.80 PDK1 (0.35) PDK1
SCHEMBL12331619 0.79 CHRNB2 (0.42) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12331007 0.79 MAPT (0.47) SMN1; SMN2PDK1
SCHEMBL14773659 0.79 CHRNB2 (0.42) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12331003 0.79 POLB (0.47) SMN1; SMN2PDK1GLRA1
SCHEMBL12331071 0.79 CHRNB2 (0.42) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL12331039 0.78 HPGD (0.45) SMN1; SMN2CHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL15788160 0.78 PDK1 (0.56) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL2933380 0.78 PDK1 (0.56) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4
SCHEMBL17776430 0.78 PDK1 (0.56) SMN1; SMN2PDK1CHRNB2CHRNA3CHRNA4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013036684-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC (US) 2013-03-14 WO disclosed
WO-2011109657-A1 COMPOUNDS USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS SATORI PHARMACEUTICALS, INC. (US) 2011-09-09 WO disclosed
EP-1456188-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-15 EP disclosed
WO-2003053946-A1 7-AMINO-BENZOTHIAZOLE DERIVATIVES AS ADENOSINE RECEPTOR LIGANDS F. HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed