SCHEMBL9047677

SCHEMBL9047677

COC(OC)[C@@H]1CSCN1C(=O)[C@H]1NCC(=S)C1C(=O)[C@@H]1CCc2ccccc2C1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.44
IDH1 O75874 1/20 0.31
FAAH O00519 2/20 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
SCHEMBL9049715 1.00 PREP (0.44) PREPIDH1FAAH
SCHEMBL9048233 0.95 PREP (0.46) PREP
SCHEMBL9049513 0.91 PREP (0.37) PREPIDH1
SCHEMBL9049610 0.91 PREP (0.37) PREPIDH1
SCHEMBL9047912 0.86 PREP (0.42) PREPIDH1FAAH
SCHEMBL9051167 0.86 PREP (0.42) PREPIDH1FAAH
SCHEMBL9047036 0.86 PREP (0.44) PREP
SCHEMBL9046571 0.86 PREP (0.44) PREP
SCHEMBL9049825 0.85 PREP (0.39) PREP
SCHEMBL9048028 0.84 PREP (0.43) PREP

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