SCHEMBL9050156

SCHEMBL9050156

O=C(CCc1cc2ccccc2o1)C1C(=S)CN[C@@H]1C(=O)C1CCN[C@@H]1C(O)=S

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.33
PSMB5 P28074 2/20 0.32
PSMB8 P28062 1/20 0.32
PIN1 Q13526 1/20 0.32
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
DRD3 P35462 2/20 0.32
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 2/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAOB P27338 1/20 0.30
CYP2C19 P33261 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9049645 0.95 PSMB8 (0.32) PREPPSMB5PSMB8PIN1DRD2
SCHEMBL9048115 0.94 PSMB8 (0.31) PSMB5PSMB8PIN1DRD2DRD4
SCHEMBL9049668 0.91 PSMB5 (0.35) PREPPSMB5PSMB8PIN1DRD2
SCHEMBL9046667 0.83 RAB9A (0.36) MEN1KMT2ANPC1L3MBTL1RAB9A
SCHEMBL9170727 0.80 PSMB5 (0.32) PREPPSMB5PSMB8PIN1DRD2
SCHEMBL9050827 0.77 PREP (0.30) PREP
SCHEMBL9049063 0.77 PREP (0.52) PREPNPC1L3MBTL1KDM4ERAB9A
SCHEMBL9048296 0.76 KMT2A (0.31) KMT2A
SCHEMBL9045886 0.75 PSMB5 (0.32) PSMB5PSMB8DRD2DRD4DRD3
SCHEMBL9049751 0.75 PREP (0.45) PREPDRD2DRD4DRD3FFAR1

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