SCHEMBL9048453

SCHEMBL9048453

N#C[C@@H]1CSCN1C(=O)[C@@H]1NCCC1C(=O)CCC1=Cc2ccccc2C1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.37
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
HTR7 P34969 1/20 0.33
DRD3 P35462 1/20 0.33
HTR2B P41595 1/20 0.33
ACHE P22303 1/20 0.32
DPP4 P27487 4/20 0.31
FAP Q12884 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
SCHEMBL9049093 0.92 PREP (0.38) PREPACHEDPP4FAP
SCHEMBL9045657 0.86 DPP4 (0.44) PREPDPP4FAP
SCHEMBL9048450 0.85 PREP (0.34) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9047458 0.84 PREP (0.37) PREPDPP4FAP
SCHEMBL9049071 0.83 PREP (0.33) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9049184 0.82 PREP (0.47) PREPDPP4
SCHEMBL9050430 0.82 PREP (0.49) PREPDPP4
SCHEMBL9051117 0.82 PREP (0.49) PREPDPP4
SCHEMBL9048070 0.81 PREP (0.46) PREPDPP4
SCHEMBL9049570 0.80 PREP (0.52) PREPDPP4

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