SCHEMBL4076315

SCHEMBL4076315

O=C(O)N1CCOC(C(Cc2ccccc2C(F)(F)F)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
DPP4 P27487 4/20 0.40
DPP7 Q9UHL4 1/20 0.40
CACNA2D1 P54289 1/20 0.39
CACNA1B Q00975 1/20 0.39
CACNB1 Q02641 1/20 0.39
CACNA1C Q13936 1/20 0.39
KDM4E B2RXH2 5/20 0.39
OPRK1 P41145 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAP Q12884 2/20 0.38
DPP8 Q6V1X1 2/20 0.38
DPP9 Q86TI2 2/20 0.38
RBP4 P02753 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL4482591 0.86 MEN1 (0.45) SLC6A2SLC6A4MEN1KMT2ANPSR1
SCHEMBL4078049 0.74 SLC6A2 (0.49) SLC6A2SLC6A4KDM4EOPRK1ALDH1A1
SCHEMBL13708241 0.74 SLC6A2 (0.49) SLC6A2SLC6A4KDM4EOPRK1ALDH1A1
SCHEMBL4070662 0.73 KDM1A (0.40) KDM4EGAAATMMAPT
SCHEMBL4934342 0.72 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL4941691 0.72 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL4934346 0.72 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL4933481 0.72 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL4940955 0.72 ALDH1A1 (0.40) KDM4EALDH1A1MEN1KMT2ACYP2C9
SCHEMBL4080093 0.72 GPR119 (0.36) KDM4EMAPT

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-1716126-B1 MORPHOLINE DERIVATIVES AS NOREPINEPHRINE REUPTAKE INHIBITORS LILLY CO ELI (US) 2009-02-25 EP disclosed