SCHEMBL7742852

SCHEMBL7742852

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 3/20 0.38
LMNA P02545 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ADRB3 P13945 1/20 0.36
SLC6A2 P23975 9/20 0.35
SLC6A4 P31645 9/20 0.35
SLC6A3 Q01959 9/20 0.35
ADRB2 P07550 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1A P35348 1/20 0.35
OPRK1 P41145 1/20 0.35
TSHR P16473 1/20 0.35
CYP3A4 P08684 8/20 0.34
KCNH2 Q12809 7/20 0.34
CYP2D6 P10635 7/20 0.34
KDM4E B2RXH2 1/20 0.34

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 SCHEMBL7935630 0.99 ADRB1 (0.37) ADRB1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7932061 0.89 SLC6A2 (0.40) ADRB1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7741723 0.88 SLC6A2 (0.46) ADRB1LMNASLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL7929518 0.87 LMNA (0.47) ADRB1LMNAHTTSLC6A2SLC6A4
SCHEMBL8671392 0.86 SMN1; SMN2 (0.36) ADRB1LMNAALDH1A1HTTSMN1; SMN2
SCHEMBL7932968 0.76 SLC6A2 (0.43) ADRB1LMNAHTTSLC6A2SLC6A4
SCHEMBL8674722 0.76 ALDH1A1 (0.40) ADRB1LMNAALDH1A1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL8672635 0.76 ADRB3 (0.54) ADRB1LMNAADRB3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL8926109 0.75 CYP3A4 (0.45) ADRB1LMNAHTTSLC6A2SLC6A4
SCHEMBL7742861 0.75 GABBR2 (0.42) LMNAALDH1A1HTTSMN1; SMN2SLC6A2

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 8 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
JP-9003039-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-H093039-A USE OF (ALPHA-AMINOMETHYL-3,4-DICHLOROBENZYL) THIOACETAMIDE DERIVATIVE TO INHIBIT RETAKE OF DOPAMINE AND NEW COMPOUND USED THEREFOR LAB L LAFON SA 1997-01-07 JP disclosed