SCHEMBL8312982

SCHEMBL8312982

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.35
DPP4 P27487 1/20 0.34
OPRM1 P35372 1/20 0.34
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 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 2/20 0.32
CYP3A4 P08684 1/20 0.32
ABCB1 P08183 1/20 0.32
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
POLB P06746 1/20 0.31
HSD11B1 P28845 1/20 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
SCHEMBL8318785 0.90 KMT2A (0.43) OPRK1DPP4KMT2AGAAMEN1
SCHEMBL8317336 0.89 OPRK1 (0.35) OPRK1DPP4OPRM1KMT2AGAA
SCHEMBL8317047 0.89 OPRK1 (0.35) OPRK1DPP4OPRM1KMT2AGAA
SCHEMBL8317634 0.86 KMT2A (0.40) OPRK1DPP4KMT2AMEN1SMN1; SMN2
SCHEMBL8316253 0.85 CYP3A4 (0.33) OPRK1KMT2AMEN1ALDH1A1CYP3A4
SCHEMBL8317349 0.83 GAA (0.35) OPRK1DPP4OPRM1KMT2AGAA
SCHEMBL8318503 0.83 ALDH1A1 (0.34) KMT2AGAAMEN1SMN1; SMN2ALDH1A1
SCHEMBL8878241 0.83 KMT2A (0.38) DPP4KMT2AGAAMEN1SMN1; SMN2
SCHEMBL8310881 0.83 ALDH1A1 (0.39) OPRK1OPRM1KMT2AGAAMEN1
SCHEMBL9539327 0.81 OPRK1 (0.42) OPRK1OPRM1KMT2AMEN1SMN1; SMN2

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