SCHEMBL7741723

SCHEMBL7741723

CC(C)(C)NCC(CC(N)=S)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.46
SLC6A4 P31645 5/20 0.46
SLC6A3 Q01959 5/20 0.46
LMNA P02545 2/20 0.46
ADRB2 P07550 2/20 0.46
ADRB1 P08588 2/20 0.46
HTR1A P08908 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
TSHR P16473 1/20 0.46
CYP3A4 P08684 4/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP2D6 P10635 4/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
KCNH2 Q12809 4/20 0.36

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
Hydrochloric Acid SCHEMBL7929518 0.99 LMNA (0.47) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7742852 0.88 ADRB1 (0.38) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7932968 0.88 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAADRB2
Hydrochloric Acid SCHEMBL7935630 0.87 ADRB1 (0.37) SLC6A2SLC6A4SLC6A3LMNAADRB2
Hydrochloric Acid SCHEMBL8926109 0.86 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7932945 0.85 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7742861 0.78 GABBR2 (0.42) SLC6A2SLC6A4SLC6A3LMNATSHR
Malic Acid SCHEMBL7932007 0.78 KMO (0.44) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7932061 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3LMNAADRB1
SCHEMBL28320405 0.75 ADRB2 (0.67) SLC6A2SLC6A4SLC6A3LMNAADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0743063-B1 Use of derivatives of alpha-aminomethyl-3,4-dichlorobenzyl thioacetamide for the preparation of a medicament inhibiting the recapture of dopamine and compounds for this use LAFON LABOR (FR) 2002-02-13 EP claimed
US-5795915-A PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS LABORATOIRE L. LAFON (FR) 1998-08-18 US claimed
EP-0406088-B1 (Alfa-t-butyl aminomethyl-3,4-dichlorobenzyl) thioacetamide, process for its preparation and its applications LAFON LABOR (FR) 1994-03-16 EP claimed
JP-3148254-A None JP disclosed
US-6268397-B1 ALPHA-(1-ADAMANTYLAMINOMETHYL)3,4-DICHLOROBENZYL)THIOACETAMID E AND ITS ISOMERS, AS WELL AS THE ADDITION SALTS OF THESE COMPOUNDS LABORATOIRE. L. LAFON (FR) 2001-07-31 US disclosed
US-6268397-B1 ALPHA-(1-ADAMANTYLAMINOMETHYL)3,4-DICHLOROBENZYL)THIOACETAMID E AND ITS ISOMERS, AS WELL AS THE ADDITION SALTS OF THESE COMPOUNDS LABORATOIRE. L. LAFON (FR) 2001-07-31 US disclosed
US-5795915-A PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS LABORATOIRE L. LAFON (FR) 1998-08-18 US disclosed
US-5795915-A PSYCHOLOGICAL DISORDERS; COGNITION ACTIVATORS LABORATOIRE L. LAFON (FR) 1998-08-18 US disclosed
JP-H03148254-A (ALPHA(TERTBUTYLAMINOMETHYL)3,4-DICHLOROBENZYL)-THIOACETAMIDE, ITS PRODUCTION AND COMPOSITION CONTAINING THE SAME LAB L LAFON SA 1991-06-25 JP disclosed
EP-0406088-A1 (Alfa-t-butyl aminomethyl-3,4-dichlorobenzyl) thioacetamide, process for its preparation and its applications LABORATOIRE L. LAFON (FR) 1991-01-02 EP disclosed