SCHEMBL40501

SCHEMBL40501

O=C1CCC(=O)N1CCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 3/20 0.65
GSK3B P49841 3/20 0.65
MGLL Q99685 2/20 0.58
FAAH O00519 1/20 0.58
CHRM2 P08172 3/20 0.55
CHRM4 P08173 3/20 0.55
CHRM5 P08912 3/20 0.55
CHRM1 P11229 3/20 0.55
DRD2 P14416 3/20 0.55
CHRM3 P20309 3/20 0.55
DRD4 P21917 3/20 0.55
DRD3 P35462 3/20 0.55
SIGMAR1 Q99720 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
ALDH1A1 P00352 2/20 0.54
ALDH2 P05091 1/20 0.54
PKM P14618 1/20 0.54
ALDH3A1 P30838 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL40440 0.88 KMT2A (0.67) GSK3AGSK3BMGLLCHRM2CHRM4
SCHEMBL9835589 0.84 GSK3A (0.59) GSK3AGSK3BMGLLFAAHSIGMAR1
SCHEMBL10158775 0.81 MAPT (0.80) GSK3AGSK3BMGLLFAAHSIGMAR1
SCHEMBL9836933 0.81 CCR3 (0.57) GSK3AGSK3BMGLLFAAHSIGMAR1
SCHEMBL9390734 0.81 KMT2A (0.62) GSK3AGSK3BMGLLCHRM2CHRM4
SCHEMBL3380286 0.78 GSK3A (1.00) GSK3AGSK3BMGLLFAAHSIGMAR1
SCHEMBL7620067 0.78 CHRM2 (0.80) CHRM2CHRM4CHRM5CHRM1DRD2
SCHEMBL30371663 0.77 TDP1 (0.86) GSK3AGSK3BL3MBTL1TDP1ALDH1A1
SCHEMBL45050 0.77 TDP1 (0.86) GSK3AGSK3BL3MBTL1TDP1ALDH1A1
SCHEMBL10158770 0.77 MAPT (0.77) GSK3AGSK3BMGLLFAAHSIGMAR1

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
WO-2012002913-A1 PROCESS OF FORMING A CYCLIC IMIDE NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2012-01-05 WO disclosed