SCHEMBL5993452

SCHEMBL5993452

CC(C)COC(=O)N1CCC[C@H](N(Cc2ccccc2C(F)(F)F)C2CCCC2)C1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 7/20 0.49
PGR P06401 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
SLC6A3 Q01959 3/20 0.40
RORC P51449 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL5127973 0.85 SLC6A2 (0.52) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL28942626 0.85 SLC6A2 (0.52) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL5120703 0.83 SLC6A2 (0.60) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL5695889 0.81 KDM4E (0.45) PGRCYP2D6CYP2C9KDM4EALDH1A1
SCHEMBL5670810 0.77 SLC6A2 (0.53) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL27661559 0.77 SLC6A2 (0.53) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL5996568 0.76 SLC6A2 (0.55) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL5127330 0.75 SLC6A2 (0.59) SLC6A2SLC6A4PGRCYP2D6CYP2C9
SCHEMBL3652853 0.72 EPHX2 (0.57) CYP2C9
SCHEMBL5734230 0.70 SLC6A2 (0.51) SLC6A2SLC6A4PGRCYP2D6CYP2C9

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
EP-1660064-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005020975-A2 TREATMENT OF LEARNING DISABILITIES AND MOTOR SKILLS DISORDER WITH NOREPINEPHRINE REUPTAKE INHIBITORS ELI LILLY AND COMPANY (US) 2005-03-10 WO disclosed