SCHEMBL8317336

SCHEMBL8317336

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
P2RX7 Q99572 2/20 0.34
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
OPRM1 P35372 1/20 0.34
DRD1 P21728 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.33
CYP3A4 P08684 1/20 0.32
ABCB1 P08183 1/20 0.32
MGLL Q99685 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
SCHEMBL8317349 0.90 GAA (0.35) OPRK1DPP4ALDH1A1KDM4EGAA
SCHEMBL8310881 0.89 ALDH1A1 (0.39) OPRK1ALDH1A1KDM4EGAAGLA
SCHEMBL8314379 0.89 DRD1 (0.45) OPRK1ALDH1A1KDM4EGAADRD1
SCHEMBL8317047 0.89 OPRK1 (0.35) OPRK1P2RX7DPP4ALDH1A1GAA
SCHEMBL8312982 0.89 OPRK1 (0.35) OPRK1P2RX7DPP4ALDH1A1GAA
SCHEMBL8317448 0.86 KMT2A (0.40) LMNATP53P2RX7DPP4KDM4E
SCHEMBL8313957 0.84 ALDH1A1 (0.33) OPRK1LMNATP53ALDH1A1KDM4E
SCHEMBL8313570 0.83 ALDH1A1 (0.33) OPRK1P2RX7DPP4ALDH1A1KDM4E
SCHEMBL8313747 0.82 ALDH1A1 (0.35) LMNAALDH1A1KDM4EGAAHPGD
SCHEMBL8876253 0.82 KMT2A (0.38) LMNATP53P2RX7DPP4ALDH1A1

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