SCHEMBL7141092

SCHEMBL7141092

CCCN(C1=C(O)C[C@](CCc2ccccc2)(C(C)C)OC1=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WRN Q14191 2/20 0.33
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
OPRD1 P41143 2/20 0.32
DRD2 P14416 1/20 0.32
OPRM1 P35372 1/20 0.32
DRD3 P35462 1/20 0.32
OPRK1 P41145 1/20 0.32
MLNR O43193 1/20 0.32
NR1I2 O75469 1/20 0.32
ABCB11 O95342 1/20 0.32
PGR P06401 1/20 0.32
CTSD P07339 1/20 0.32
CHRM2 P08172 1/20 0.32
ADRA2A P08913 1/20 0.32
PGA5 P0DJD9 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CTSE P14091 1/20 0.32
GABRA1 P14867 1/20 0.32
ADRA2C P18825 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
SCHEMBL6295877 0.95 GLI1 (0.34) OPRD1OPRM1OPRK1
SCHEMBL6295721 0.93 PPIB (0.32) DRD2DRD1
SCHEMBL7078899 0.92 WRN (0.34) WRNGAAL3MBTL1OPRD1OPRM1
SCHEMBL6297393 0.91 OPRD1 (0.32) OPRD1DRD2OPRM1DRD3OPRK1
SCHEMBL6296998 0.90 DRD2 (0.35) OPRD1DRD2OPRM1DRD3OPRK1
SCHEMBL6295927 0.89 ESR1 (0.36) OPRD1DRD2OPRM1DRD3OPRK1
SCHEMBL6297392 0.88 OPRM1 (0.34) OPRD1DRD2OPRM1DRD3OPRK1
SCHEMBL6297136 0.88 HTR1A (0.30)
SCHEMBL7078065 0.88 WRN (0.36) WRNGAAL3MBTL1OPRD1OPRM1
SCHEMBL6301730 0.87 TRPM8 (0.42) GAADRD2OPRM1DRD3OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6512006-B1 Novel 3-position Nitrogen substituted 6,6- disubstituted-5, 6-dihydropyrones and related compounds possess antiviral properties WARNER-LAMBERT COMPANY 2003-01-28 US claimed