SCHEMBL4384241

SCHEMBL4384241

COc1cc(CCC(C)(N)O)ccn1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 4/20 0.57
LOX P28300 3/20 0.57
SLC13A5 Q86YT5 1/20 0.45
AR P10275 2/20 0.39
FFAR1 O14842 1/20 0.39
CHRM1 P11229 1/20 0.37
NR3C2 P08235 4/20 0.36
AAK1 Q2M2I8 2/20 0.36
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
GRM2 Q14416 1/20 0.35
ACVR2A P27037 1/20 0.34
TGFBR2 P37173 1/20 0.34
NUDT1 P36639 1/20 0.33

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
SCHEMBL21227110 0.85 LOXL2 (0.61) LOXL2LOXSLC13A5ARFFAR1
SCHEMBL441300 0.84 LOXL2 (0.60) LOXL2LOXSLC13A5FFAR1CHRM1
SCHEMBL6218599 0.77 LOXL2 (0.73) LOXL2LOXFFAR1
SCHEMBL2497237 0.77 LOXL2 (0.62) LOXL2LOXSLC13A5FFAR1NR3C2
SCHEMBL440214 0.76 LOXL2 (0.57) LOXL2LOXSLC13A5FFAR1CHRM1
Hydrochloric Acid SCHEMBL12802921 0.76 LOXL2 (0.71) LOXL2LOXGSK3AGSK3B
Hydrochloric Acid SCHEMBL2022971 0.76 LOXL2 (0.71) LOXL2LOXGSK3AGSK3B
SCHEMBL12093687 0.75 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1NR3C2
SCHEMBL13028811 0.75 LOXL2 (0.65) LOXL2LOXSLC13A5FFAR1CHRM1
SCHEMBL21591576 0.74 LOXL2 (0.69) LOXL2LOXFFAR1GSK3AGSK3B

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
EP-2097384-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS AstraZeneca AB (SE) 2009-09-09 EP disclosed
WO-2008063116-A1 INDOZALYL SULPHONAMIDE DERIVATIVES USEFUL AS GLUCOCORTICOID MODULATORS ASTRAZENECA AB (SE) 2008-05-29 WO disclosed