SCHEMBL9046571

SCHEMBL9046571

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PREP P48147 17/20 0.44
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
UGCG Q16739 1/20 0.34

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
SCHEMBL9047036 1.00 PREP (0.44) PREPADRA1DADRA1AADRA1BUGCG
SCHEMBL9048101 0.95 PREP (0.47) PREPUGCG
SCHEMBL9050062 0.92 PREP (0.43) PREPADRA1DADRA1AADRA1BUGCG
SCHEMBL9048958 0.92 PREP (0.42) PREPUGCG
SCHEMBL9048028 0.92 PREP (0.43) PREPADRA1DADRA1AADRA1BUGCG
SCHEMBL9048108 0.92 PREP (0.42) PREPUGCG
SCHEMBL9050166 0.88 PREP (0.45) PREP
SCHEMBL9045887 0.87 PREP (0.38) PREP
SCHEMBL9167239 0.87 PREP (0.42) PREPADRA1DADRA1AADRA1BUGCG
SCHEMBL9175056 0.87 PREP (0.42) PREPADRA1DADRA1AADRA1BUGCG

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