SCHEMBL4664429

SCHEMBL4664429

Cc1ccsc1-c1cn(CCCCO[Si](C)(C)C(C)(C)C)c(=O)[nH]c1=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.49
TK1 P04183 1/20 0.41
TK2 O00142 12/20 0.41
CYP2C9 P11712 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 1/20 0.34
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
GAA P10253 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL3560477 0.97 DUT (0.53) DUTTK1TK2CYP2C9KMT2A
SCHEMBL13314164 0.81 CYP1A2 (0.48) TK1TK2CYP2C9KMT2AMAPT
SCHEMBL3559057 0.80 CYP2C9 (0.42) TK1TK2CYP2C9KMT2AMAPT
SCHEMBL13314163 0.80 ALDH1A1 (0.43) TK1TK2CYP2C9KMT2AMAPT
SCHEMBL3565020 0.77 TK2 (0.37) TK1TK2CYP2C9KMT2AMAPT
SCHEMBL3557780 0.74 MAPK1 (0.35) TK1TK2
SCHEMBL3565717 0.74 DUT (0.54) DUTTK1TK2CYP2C9KMT2A
SCHEMBL19181080 0.72 TYMP (0.52) DUTTK1TK2
SCHEMBL3566318 0.70 DUT (0.58) DUTTK1TK2CYP2C9KMT2A
SCHEMBL9354252 0.70 DUT (0.55) DUTTK1TK2

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
EP-2007750-B1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LTD (GB) 2013-08-21 EP disclosed
EP-2007750-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2008-12-31 EP disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed
WO-2007113232-A1 AZABICYCLO [3. 1. 0] HEXYL DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-10-11 WO disclosed