SCHEMBL9509316

SCHEMBL9509316

[NH]CC1COc2ccccc2S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.42
NISCH Q9Y2I1 1/20 0.34
CA2 P00918 1/20 0.32
OXTR P30559 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ITGB2 P05107 1/20 0.31
ICAM1 P05362 1/20 0.31
ITGAL P20701 1/20 0.31
ADRA2A P08913 2/20 0.31
ADRA1A P35348 2/20 0.31
MAOB P27338 1/20 0.31
HTT P42858 1/20 0.31
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
HTR1A P08908 1/20 0.31
DRD1 P21728 1/20 0.31
TBXA2R P21731 1/20 0.31
SLC6A2 P23975 1/20 0.31
DRD3 P35462 1/20 0.31
ADRA2B P18089 1/20 0.31

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
SCHEMBL9509328 0.82 DAO (0.42) DAONISCHCA2ADRA2AADRA1A
SCHEMBL9508478 0.72 MEN1 (0.33)
SCHEMBL7909006 0.72 DAO (0.45) DAONISCHOXTRABCG2ITGB2
SCHEMBL24193236 0.70 DAO (0.44) DAOHTT
SCHEMBL3116311 0.68 DAO (0.33) DAONISCH
SCHEMBL9509321 0.68 DAO (0.42) DAONISCHOXTRABCG2ITGB2
SCHEMBL6069043 0.67 DAO (0.39) DAONISCH
SCHEMBL9671960 0.64 ADRA2A (0.56) CA2ADRA2AADRA1AHTTHTR1A
SCHEMBL2071541 0.62 NISCH (0.39) DAONISCHCA2OXTRABCG2
SCHEMBL6069296 0.62 NISCH (0.39) DAONISCHCA2OXTRABCG2

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