SCHEMBL4803483

SCHEMBL4803483

CNCCC(Oc1cc(F)c(C)c(F)c1F)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.62
SLC6A2 P23975 9/20 0.61
CYP2D6 P10635 5/20 0.61
CYP1A2 P05177 4/20 0.61
CYP3A4 P08684 4/20 0.61
TSHR P16473 3/20 0.61
SLC6A3 Q01959 3/20 0.61
CHRM1 P11229 2/20 0.61
ADRA2B P18089 2/20 0.61
HTR2A P28223 2/20 0.61
HTR2C P28335 2/20 0.61
HRH1 P35367 2/20 0.61
OPRM1 P35372 2/20 0.61
DRD3 P35462 2/20 0.61
OPRK1 P41145 2/20 0.61
HTR2B P41595 2/20 0.61
KCNH2 Q12809 2/20 0.61
KLF10 Q13118 2/20 0.61
HRH3 Q9Y5N1 2/20 0.61
KMT2A Q03164 2/20 0.61

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
SCHEMBL8677578 0.88 SLC6A4 (0.60) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL8341049 0.85 SLC6A4 (0.51) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7053189 0.81 SLC6A4 (0.71) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL7053107 0.79 SLC6A4 (0.77) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL4803498 0.77 SLC6A4 (0.73) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
SCHEMBL4803492 0.77 SLC6A4 (0.58) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Atomoxetine SCHEMBL12047445 0.76 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Atomoxetine SCHEMBL341802 0.76 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Atomoxetine SCHEMBL2209541 0.76 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4
Atomoxetine SCHEMBL29440242 0.76 SLC6A4 (1.00) SLC6A4SLC6A2CYP2D6CYP1A2CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5166437-A Process for the preparation of fluoxetine ORION-YHTYMA OY (FI) 1992-11-24 US claimed
EP-0391070-A1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION-YHTYMÄ OY FERMION (FI) 1990-10-10 EP claimed
US-7390847-B2 Polymer derivatives for the treatment of metals BASF SE (DE) 2008-06-24 US disclosed
US-20050121114-A1 Polymer derivatives for the treatment of metals BASF AKTIENGESELLSCHAFT (DE) 2005-06-09 US disclosed
EP-0391070-B1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION YHTYMAE OY (FI) 1994-01-19 EP disclosed
EP-0391070-B1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION YHTYMAE OY (FI) 1994-01-19 EP disclosed
EP-0391070-A1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION-YHTYMÄ OY FERMION (FI) 1990-10-10 EP disclosed
EP-0391070-A1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION-YHTYMÄ OY FERMION (FI) 1990-10-10 EP disclosed
EP-0391070-A1 Process for the preparation of N-methyl-3-(p-trifluoro-methylphenoxy)-3-phenyl-propylamine and their salts ORION-YHTYMÄ OY FERMION (FI) 1990-10-10 EP disclosed