SCHEMBL9050700

SCHEMBL9050700

O=C(CCC1=Cc2ccccc2C1)C1CCN[C@H]1C(=O)N1CCC[C@H]1C=NO

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.42
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
KEAP1 Q14145 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL9050399 0.92 PREP (0.46) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9049071 0.86 PREP (0.33) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9050687 0.86 PREP (0.40) PREPHTR1AHTR2AHTR7DRD3
SCHEMBL9048348 0.84 PREP (0.36) PREPKEAP1NFE2L2
SCHEMBL9045657 0.82 DPP4 (0.44) PREP
SCHEMBL9046318 0.82 PREP (0.37) PREP
SCHEMBL9048722 0.82 PREP (0.39) PREP
SCHEMBL9047136 0.80 PREP (0.57) PREP
SCHEMBL9047124 0.80 PREP (0.57) PREP
SCHEMBL9046423 0.80 PREP (0.42) 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