SCHEMBL9509328

SCHEMBL9509328

NCC1COc2ccccc2S1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
CA2 P00918 3/20 0.35
SLC6A2 P23975 3/20 0.35
CYP2D6 P10635 2/20 0.35
SLC6A4 P31645 1/20 0.35
NISCH Q9Y2I1 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD1 P21728 1/20 0.34
TBXA2R P21731 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
ALOX5 P09917 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
SCHEMBL9509316 0.82 DAO (0.42) DAOCA2SLC6A2NISCHHTR1A
SCHEMBL9508490 0.72 MEN1 (0.33)
SCHEMBL7909006 0.72 DAO (0.45) DAONISCH
SCHEMBL6069043 0.70 DAO (0.39) DAONISCH
SCHEMBL441013 0.69 CA2 (0.53) CA2SLC6A2CYP2D6SLC6A4NISCH
SCHEMBL7900045 0.68 HTR2A (0.38)
SCHEMBL9509321 0.68 DAO (0.42) DAOSLC6A2NISCHHTR1AADRA2A
SCHEMBL24193236 0.67 DAO (0.44) DAO
SCHEMBL2069021 0.66 NISCH (0.39) DAOCA2SLC6A2NISCHHTR1A
SCHEMBL2071541 0.66 NISCH (0.39) DAOCA2SLC6A2NISCHHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564520-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1993-10-13 EP disclosed
WO-1992011011-A1 USE OF CERTAIN GLUTARIMIDE DERIVATIVES IN THE TREATMENT OF DEPRESSION AND MANIA MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-09 WO disclosed
EP-0492021-A1 Use of certain 1,2-benzoisothiazol-3(2H)-1,1-dioxide derivatives in the treatment of depression and mania MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-01 EP disclosed