SCHEMBL9045886

SCHEMBL9045886

O=C[C@H]1NCC(=S)C1C(=O)[C@H]1NCC(=S)C1C(=O)CCCc1cc2ccccc2o1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.32
PSMB8 P28062 1/20 0.32
DRD2 P14416 5/20 0.31
DRD3 P35462 4/20 0.31
DRD1 P21728 1/20 0.31
DRD4 P21917 2/20 0.31
ADRA2A P08913 1/20 0.30
GLS O94925 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30

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
SCHEMBL9049197 0.97 GLS (0.32) PSMB5PSMB8DRD2DRD3DRD1
SCHEMBL9170727 0.94 PSMB5 (0.32) PSMB5PSMB8DRD2DRD3DRD4
SCHEMBL9050214 0.89 ESR1 (0.36) PSMB5PSMB8DRD2DRD3DRD4
SCHEMBL9046795 0.82 PREP (0.42) DRD2DRD3DRD1DRD4
SCHEMBL9049645 0.81 PSMB8 (0.32) PSMB5PSMB8DRD2DRD3DRD4
SCHEMBL9050316 0.80 FLT3 (0.39)
SCHEMBL9051129 0.79 PREP (0.41) DRD2DRD3DRD1DRD4
SCHEMBL9048115 0.78 PSMB8 (0.31) PSMB5PSMB8DRD2DRD3DRD4
SCHEMBL9050770 0.77 PREP (0.42) DRD2DRD3DRD1DRD4
SCHEMBL9049751 0.76 PREP (0.45) DRD2DRD3DRD4

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-0536399-B1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARM CO LTD (JP) 1996-01-24 EP disclosed
US-5407950-A Brain disorders, senile dementia ZERIA PHARMACEUTICAL CO., LTD. (JP) 1995-04-18 US disclosed
EP-0536399-A1 NOVEL ARYLALKANOYLAMINE DERIVATIVE AND DRUG CONTAINING THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-04-14 EP disclosed