SCHEMBL11856423

SCHEMBL11856423

CCCCC(CC)CN1CCCCCCCCCCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.47
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
PER2 O15055 2/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
CYP2D6 P10635 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
CYP2C19 P33261 1/20 0.36
CA2 P00918 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2145803 0.94 PIK3CD (0.54) PIK3CDGAAPER2CHRM2HTR1A
SCHEMBL19035537 0.81 PIK3CD (0.54) PIK3CDGAAPER2CHRM2CHRM1
SCHEMBL8269849 0.81 GAA (0.42) PIK3CDGAAL3MBTL1HRH3KMT2A
SCHEMBL28355014 0.81 PIK3CD (0.39) PIK3CDGAAL3MBTL1HRH3KMT2A
SCHEMBL12058905 0.80 PIK3CD (0.66) PIK3CDGAAPER2CHRM2CHRM1
SCHEMBL21217031 0.76 PIK3CD (0.61) PIK3CDGAAPER2CHRM2CHRM1
SCHEMBL6561449 0.76 SMN1; SMN2 (0.40) L3MBTL1PER2CHRM2HTR1AADRA2A
SCHEMBL19185719 0.76 PIK3CD (0.46) PIK3CDL3MBTL1CHRM2CHRM1CYP2D6
SCHEMBL4611720 0.75 L3MBTL1 (0.46) PIK3CDGAAL3MBTL1CHRM2CHRM1
SCHEMBL10427076 0.75 L3MBTL1 (0.46) PIK3CDGAAL3MBTL1CHRM2CHRM1

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
US-3975377-A FROM AN ALKALI METAL LACTAMATE AND ALKYL HALIDE ATO CHIMIE (FR) 1976-08-17 US claimed
US-3975377-A FROM AN ALKALI METAL LACTAMATE AND ALKYL HALIDE ATO CHIMIE (FR) 1976-08-17 US disclosed