SCHEMBL4553208

SCHEMBL4553208

CCCCC(CC(=O)OC)C1CCCCN1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.42
SLC6A2 P23975 5/20 0.42
SLC6A4 P31645 4/20 0.42
DHFR P00374 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL4552040 0.85 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFRDPP7
SCHEMBL4552893 0.83 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4DPP7
SCHEMBL11882612 0.80 MMP1 (0.40) ALDH1A1TSHR
SCHEMBL15635204 0.80 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL8395460 0.80 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DHFRDPP7
SCHEMBL4553207 0.80 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Hydrochloric Acid SCHEMBL8394606 0.77 SLC6A2 (0.43) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL6050465 0.77 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL24654963 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4DPP7
SCHEMBL26488994 0.76 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4DPP7

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