SCHEMBL7932945

SCHEMBL7932945

COC(=S)CC(CNC(C)(C)C)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.42
SLC6A4 P31645 7/20 0.42
SLC6A3 Q01959 6/20 0.42
LMNA P02545 2/20 0.42
ADRB2 P07550 2/20 0.42
ADRB1 P08588 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRK1 P41145 1/20 0.42
TSHR P16473 1/20 0.42
CYP3A4 P08684 5/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 5/20 0.37
KCNH2 Q12809 5/20 0.37
NFKB1 P19838 1/20 0.37
HIF1A Q16665 1/20 0.37
BLM P54132 1/20 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
SCHEMBL8671392 0.89 SMN1; SMN2 (0.36) SLC6A2SLC6A4SLC6A3LMNAADRB1
SCHEMBL7932968 0.86 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAADRB2
Hydrochloric Acid SCHEMBL8926109 0.85 CYP3A4 (0.45) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7741723 0.85 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3LMNAADRB2
Hydrochloric Acid SCHEMBL7929518 0.84 LMNA (0.47) SLC6A2SLC6A4SLC6A3LMNAADRB2
Malic Acid SCHEMBL7932007 0.77 KMO (0.44) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7932061 0.75 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3LMNAADRB1
SCHEMBL8674426 0.75 SLC6A2 (0.41) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL8674447 0.75 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3LMNAADRB2
SCHEMBL7742852 0.74 ADRB1 (0.38) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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