SCHEMBL6007228

SCHEMBL6007228

CC[C@H](O)N(C)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.49
SLC6A4 P31645 7/20 0.49
LMNA P02545 1/20 0.45
AOC3 Q16853 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GRIN1 Q05586 4/20 0.39
GRIN2A Q12879 4/20 0.39
GRIN2D O15399 3/20 0.39
GRIN2C Q14957 3/20 0.39
GRIN2B Q13224 2/20 0.39
TRPA1 O75762 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
SCHEMBL4358295 1.00 SLC6A2 (0.49) SLC6A2SLC6A4LMNAAOC3ALDH1A1
SCHEMBL6807357 0.85 SLC6A2 (0.47) SLC6A2SLC6A4LMNAAOC3ALDH1A1
SCHEMBL4352146 0.81 ALDH1A1 (0.44) SLC6A2SLC6A4ALDH1A1TSHRKDM4E
SCHEMBL3402708 0.80 LMNA (0.52) SLC6A2SLC6A4LMNAAOC3ALDH1A1
SCHEMBL1408150 0.80 LMNA (0.46) SLC6A2SLC6A4LMNAAOC3ALDH1A1
SCHEMBL21480202 0.79 SLC6A2 (0.46) SLC6A2SLC6A4LMNAAOC3ALDH1A1
SCHEMBL7328519 0.79 CHRM5 (0.46) ALDH1A1KDM4E
SCHEMBL9446189 0.79 SLC6A2 (0.50) SLC6A2SLC6A4LMNAALDH1A1GLA
Alcohol SCHEMBL14920530 0.78 L3MBTL1 (0.39) SLC6A2SLC6A4LMNAALDH1A1KDM4E
SCHEMBL22431416 0.78 SLC6A2 (0.45) SLC6A2SLC6A4AOC3ALDH1A1KDM4E

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-1704138-A1 PROCESSES FOR THE PREPARATION OF TOMOXETINE Teva Pharmaceutical Fine Chemicals S.R.L. (IT) 2006-09-27 EP disclosed
WO-2006068662-A1 PROCESSES FOR THE PREPARATION OF TOMOXETINE TEVA PHARMACEUTICAL FINE CHEMICALS S.R.L. (IT) 2006-06-29 WO disclosed