SCHEMBL9048115

SCHEMBL9048115

O=C(CCCCc1cc2ccccc2o1)C1C(=S)CN[C@@H]1C(=O)C1CCN[C@@H]1C(O)=S

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.31
PSMB5 P28074 1/20 0.31
PIN1 Q13526 1/20 0.31
DRD2 P14416 3/20 0.30
DRD3 P35462 3/20 0.30
DRD4 P21917 2/20 0.30
HTR2B P41595 1/20 0.30
GLS O94925 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 0.97 PSMB8 (0.32) PSMB8PSMB5PIN1DRD2DRD3
SCHEMBL9050156 0.94 PREP (0.33) PSMB8PSMB5PIN1DRD2DRD3
SCHEMBL9049668 0.89 PSMB5 (0.35) PSMB8PSMB5PIN1DRD2DRD3
SCHEMBL9049197 0.81 GLS (0.32) PSMB8PSMB5DRD2DRD3DRD4
SCHEMBL9046667 0.81 RAB9A (0.36)
SCHEMBL9045886 0.78 PSMB5 (0.32) PSMB8PSMB5DRD2DRD3DRD4
SCHEMBL9050872 0.78
SCHEMBL9046320 0.78 PREP (0.47) DRD2HTR2B
SCHEMBL9049794 0.77 GBA1 (0.31)
SCHEMBL9050045 0.76 PREP (0.30)

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