SCHEMBL8411474

SCHEMBL8411474

CNCCC(OS(C)(=O)=O)c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.59
SLC6A2 P23975 7/20 0.54
CYP2D6 P10635 6/20 0.54
CYP1A2 P05177 5/20 0.54
CYP3A4 P08684 5/20 0.54
TSHR P16473 4/20 0.54
SLC6A3 Q01959 4/20 0.54
HTR2A P28223 4/20 0.54
HRH1 P35367 4/20 0.54
KMT2A Q03164 3/20 0.54
CHRM1 P11229 3/20 0.54
ADRA2B P18089 3/20 0.54
HTR2C P28335 3/20 0.54
OPRM1 P35372 3/20 0.54
OPRK1 P41145 3/20 0.54
HTR2B P41595 3/20 0.54
KCNH2 Q12809 3/20 0.54
HRH3 Q9Y5N1 3/20 0.54
CYP2C19 P33261 3/20 0.54
DRD3 P35462 2/20 0.54

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
SCHEMBL12933943 0.80 CYP24A1 (0.37) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL2073576 0.80 CYP24A1 (0.37) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7774939 0.79 POLB (0.41) SLC6A4KDM4E
SCHEMBL8126233 0.78 LMNA (0.41) SLC6A4CYP3A4KMT2ACYP2C19MEN1
SCHEMBL8623628 0.77 CYP2C19 (0.41) CYP2D6CYP1A2CYP3A4TSHRCYP2C19
SCHEMBL20528447 0.77 CYP24A1 (0.38) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8617087 0.77 GSR (0.41) SLC6A4CYP2D6CYP1A2CYP3A4CYP2C19
SCHEMBL9499433 0.77 SLC6A4 (0.71) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL3571695 0.76 CYP24A1 (0.35) SLC6A4CYP2D6CYP1A2CYP3A4LMNA
SCHEMBL8580567 0.76 CYP24A1 (0.35) SLC6A4CYP3A4KMT2ACYP2C19LMNA

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-0929514-A1 PROCESS FOR THE PREPARATION OF FLUOXETINE EGIS GYOGYSZERGYAR RT. (HU) 1999-07-21 EP disclosed
WO-1998011054-A1 PROCESS FOR THE PREPARATION OF FLUOXETINE EGIS Gyógyszergyár Rt. (HU) 1998-03-19 WO disclosed