SCHEMBL9049310

SCHEMBL9049310

COC(OC)[C@@H]1CCCN1C(=O)[C@H]1NCC(=S)C1C(=O)CCC1=Cc2ccccc2C1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PREP P48147 3/20 0.40
ACHE P22303 1/20 0.32
HTR1A P08908 1/20 0.32
HTR2A P28223 1/20 0.32
HTR7 P34969 1/20 0.32
DRD3 P35462 1/20 0.32
HTR2B P41595 1/20 0.32

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
SCHEMBL9048985 0.93 PREP (0.44) PREPACHE
SCHEMBL9049621 0.92 PREP (0.39) PREPACHEHTR1AHTR2AHTR7
SCHEMBL9050326 0.86 PREP (0.43) PREP
SCHEMBL9049267 0.85 PREP (0.42) PREP
SCHEMBL9049755 0.85 PREP (0.43) PREPACHE
SCHEMBL9049973 0.84 PREP (0.42) PREPACHEHTR1AHTR2AHTR7
SCHEMBL9047689 0.84 PREP (0.42) PREPACHEHTR1AHTR2AHTR7
SCHEMBL9050728 0.83 PREP (0.42) PREPACHE
SCHEMBL9048636 0.83 PREP (0.41) PREP
SCHEMBL9045646 0.83 DPP4 (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