SCHEMBL4553209

SCHEMBL4553209

CCCCCC(C(=O)OC)C1CCCCN1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.47
SLC6A2 P23975 4/20 0.47
SLC6A4 P31645 3/20 0.47
DHFR P00374 1/20 0.47
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL9341311 0.84 SLC6A3 (0.52) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL4552041 0.84 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4
SCHEMBL4552894 0.83 SLC6A3 (0.47) SLC6A3SLC6A2SLC6A4
SCHEMBL38665252 0.78 ZDHHC7 (0.51) LMNATSHR
SCHEMBL30801441 0.77 ZDHHC7 (0.50) ALDH1A1TSHR
SCHEMBL9644387 0.76 ZDHHC7 (0.51) LMNATSHR
SCHEMBL28860013 0.74 ZDHHC7 (0.47) SLC6A3SLC6A2SLC6A4LMNATSHR
SCHEMBL6843789 0.74 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4
SCHEMBL30801437 0.74 ZDHHC7 (0.54) LMNATSHR
SCHEMBL4774438 0.74 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1612207-B1 Processes and intermediates for preparing 2-substituted piperidine stereoisomers CELGENE CORP (US) 2009-01-07 EP claimed
EP-1612207-A1 Processes and intermediates for preparing 2-substituted piperidine stereoisomers CELGENE CORPORATION (US) 2006-01-04 EP claimed
EP-1612207-B1 Processes and intermediates for preparing 2-substituted piperidine stereoisomers CELGENE CORP (US) 2009-01-07 EP disclosed