Sugi Predict

Sugi Predict / Compounds / SCHEMBL4552040

SCHEMBL4552040

SCHEMBL4552040

CCCCC(CC(=O)O)C1CCCCN1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 11/20 0.45
▸ SLC6A2 P23975 9/20 0.45
▸ SLC6A4 P31645 8/20 0.45
▸ DPP7 Q9UHL4 1/20 0.39
▸ DHFR P00374 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4552893 0.87 SLC6A3 (0.44) SLC6A3SLC6A2SLC6A4DPP7
SCHEMBL4553208 0.85 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4DPP7DHFR
SCHEMBL15635204 0.80 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
Acetic Acid SCHEMBL29252308 0.80 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL8395460 0.80 SLC6A3 (0.43) SLC6A3SLC6A2SLC6A4DPP7DHFR
Acetic Acid SCHEMBL29251586 0.80 SLC6A3 (0.45) SLC6A3SLC6A2SLC6A4DHFR
SCHEMBL24654963 0.80 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4DPP7
SCHEMBL26488994 0.80 SLC6A2 (0.52) SLC6A3SLC6A2SLC6A4DPP7
SCHEMBL16245455 0.80 SLC6A3 (0.40) SLC6A3SLC6A2SLC6A4DHFRALDH1A1
SCHEMBL20841352 0.79 SLC6A2 (0.48) 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 1 patent. 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