SCHEMBL8722262

SCHEMBL8722262

CN(CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 10/20 0.67
SLC6A4 P31645 5/20 0.65
HRH3 Q9Y5N1 2/20 0.65
SLC6A2 P23975 4/20 0.53
SLC6A3 Q01959 4/20 0.53
KCNK2 O95069 2/20 0.53
KCNH2 Q12809 2/20 0.53
CACNA1C Q13936 2/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
LMNA P02545 4/20 0.53
NPC1 O15118 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MTOR P42345 2/20 0.53
RAB9A P51151 2/20 0.53
CYP3A4 P08684 2/20 0.53
HTR2C P28335 2/20 0.53
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53

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
SCHEMBL8726597 0.90 SLC6A9 (0.57) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL7939788 0.89 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL7943023 0.87 SLC6A9 (0.72) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL5269933 0.86 SLC6A9 (0.71) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13780465 0.86 SLC6A9 (0.77) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL4300396 0.83 SLC6A9 (0.72) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
Oxalic Acid SCHEMBL7317614 0.81 SLC6A4 (0.88) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050309 0.81 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050312 0.81 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3
SCHEMBL13050304 0.81 SLC6A9 (0.69) SLC6A9SLC6A4HRH3SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0617006-B1 N-Substituted derivatives of N-methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine and procedure for their preparation PLIVA PHARM & CHEM WORKS (HR) 1998-05-06 EP disclosed
US-5618968-A N-substituted derivatives of N-methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine and the procedure for their preparation PLIVA FARMACEUTSKA KEMIJSKA, PREHRAMBENA I KOZMETICKA INDUSTRIJA, DIONICKO DRUSTVO (HR) 1997-04-08 US disclosed
EP-0617006-A1 N-subtituted derivatives of N-methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine and the procedure for their preparation PLIVA d.d. ZAGREB (HR) 1994-09-28 EP disclosed