SCHEMBL8317047

SCHEMBL8317047

CCOC(=O)OC1CC(O)CN1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.35
DPP4 P27487 1/20 0.34
OPRM1 P35372 1/20 0.34
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
VHL P40337 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
P2RX7 Q99572 2/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
ABCB1 P08183 1/20 0.32
POLB P06746 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
SCHEMBL8317336 0.89 OPRK1 (0.35) OPRK1DPP4OPRM1KMT2AGAA
SCHEMBL8315579 0.89 KMT2A (0.43) OPRK1KMT2AGAAVHLMEN1
SCHEMBL8312982 0.89 OPRK1 (0.35) OPRK1DPP4OPRM1SLC6A4SLC6A3
SCHEMBL8312980 0.86 KMT2A (0.40) OPRK1DPP4KMT2AGAAMEN1
SCHEMBL8317543 0.84 VHL (0.34) OPRK1KMT2AVHLMEN1ALDH1A1
SCHEMBL8317349 0.83 GAA (0.35) OPRK1DPP4OPRM1SLC6A4SLC6A3
SCHEMBL8310881 0.83 ALDH1A1 (0.39) OPRK1OPRM1KMT2AGAAMEN1
SCHEMBL8317651 0.82 PIK3CD (0.39) KMT2AGAAVHLMEN1SMN1; SMN2
SCHEMBL8983664 0.82 VHL (0.40) DPP4SLC6A4SLC6A3KMT2AGAA
SCHEMBL9539327 0.81 OPRK1 (0.42) OPRK1OPRM1SLC6A3KMT2AMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0501129-B1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1999-07-14 EP disclosed
EP-0501129-A1 Substituted bicyclic 3-arylpyrrolidin-2,4-dion derivatives BAYER AG (DE) 1992-09-02 EP disclosed