SCHEMBL8317349

SCHEMBL8317349

CCOC(=O)OC1CCC(C)CN1C(=O)Cc1c(Cl)cc(Cl)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 3/20 0.35
OPRM1 P35372 1/20 0.35
KMT2A Q03164 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.33
DRD1 P21728 1/20 0.33
TSHR P16473 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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 0.90 OPRK1 (0.35) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8314625 0.89 KMT2A (0.45) GAAALDH1A1KDM4EOPRK1OPRM1
SCHEMBL8318856 0.86 KMT2A (0.40) GAAALDH1A1KMT2ASMN1; SMN2DPP4
SCHEMBL8316437 0.84 MEN1 (0.33) ALDH1A1KDM4EOPRK1OPRM1KMT2A
SCHEMBL9539327 0.84 OPRK1 (0.42) HPGDOPRK1OPRM1KMT2ASMN1; SMN2
SCHEMBL8310881 0.84 ALDH1A1 (0.39) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8312982 0.83 OPRK1 (0.35) GAAALDH1A1OPRK1OPRM1KMT2A
SCHEMBL8317047 0.83 OPRK1 (0.35) GAAALDH1A1OPRK1OPRM1KMT2A
SCHEMBL8876152 0.82 KMT2A (0.40) GAAALDH1A1KDM4EGLAHPGD
SCHEMBL8317474 0.82 KMT2A (0.35) GAAALDH1A1KDM4EHPGDKMT2A

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