SCHEMBL9049645

SCHEMBL9049645

O=C(CCCc1cc2ccccc2o1)C1C(=S)CN[C@@H]1C(=O)C1CCN[C@@H]1C(O)=S

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
PIN1 Q13526 1/20 0.31
DRD3 P35462 3/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
PREP P48147 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
SCHEMBL9048115 0.97 PSMB8 (0.31) PSMB8PSMB5PIN1DRD3DRD2
SCHEMBL9050156 0.95 PREP (0.33) PSMB8PSMB5PIN1DRD3DRD2
SCHEMBL9049668 0.90 PSMB5 (0.35) PSMB8PSMB5PIN1DRD3DRD2
SCHEMBL9046667 0.81 RAB9A (0.36)
SCHEMBL9045886 0.81 PSMB5 (0.32) PSMB8PSMB5DRD3DRD2DRD4
SCHEMBL9049197 0.78 GLS (0.32) PSMB8PSMB5DRD3DRD2DRD4
SCHEMBL9050743 0.78
SCHEMBL9049484 0.77 PREP (0.48) PREP
SCHEMBL9050045 0.77 PREP (0.30) PREP
SCHEMBL9050770 0.76 PREP (0.42) DRD3DRD2DRD4PREP

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