SCHEMBL9049512

SCHEMBL9049512

COC(OC)[C@@H]1CCCN1C(=O)[C@H]1NCC(=S)C1C(=O)C1Cc2ccccc2C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PREP P48147 9/20 0.43
DPP4 P27487 3/20 0.33
RAB9A P51151 1/20 0.32
F2 P00734 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
FAP Q12884 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
HSD11B1 P28845 1/20 0.30
KCNK3 O14649 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
SCHEMBL9051167 0.95 PREP (0.42) PREPDPP4RAB9AF2
SCHEMBL9047912 0.95 PREP (0.42) PREPDPP4RAB9AF2
SCHEMBL9049953 0.90 PREP (0.36) PREPF2ALDH1A1GAA
SCHEMBL9050343 0.86 PREP (0.44) PREPDPP4
SCHEMBL9172981 0.86 F2 (0.35) PREPF2ALDH1A1
SCHEMBL9050262 0.86 F2 (0.35) PREPF2ALDH1A1
SCHEMBL9050728 0.85 PREP (0.42) PREPDPP4
SCHEMBL9048233 0.84 PREP (0.46) PREP
SCHEMBL9175056 0.84 PREP (0.42) PREP
SCHEMBL9167239 0.84 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