SCHEMBL9856746

SCHEMBL9856746

COS(=O)(=O)CCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.52
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
EEF2K O00418 1/20 0.39
ALDH1A1 P00352 2/20 0.39
SLC6A4 P31645 5/20 0.38
SLC6A2 P23975 4/20 0.38
SLC6A3 Q01959 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 4/20 0.38
HRH3 Q9Y5N1 2/20 0.38
NPC1 O15118 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 2/20 0.38
MTOR P42345 2/20 0.38
RAB9A P51151 2/20 0.38
KCNK2 O95069 2/20 0.38
KCNH2 Q12809 2/20 0.38
CACNA1C Q13936 2/20 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
SCHEMBL9857073 0.76 SLC6A9 (0.57) SLC6A9PPARGPPARAALDH1A1SLC6A4
SCHEMBL9857350 0.75 SLC6A9 (0.67) SLC6A9SLC6A4HRH3HTR2AHRH1
SCHEMBL9856532 0.75 SLC6A4 (0.58) SLC6A9ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL13204407 0.74 SLC6A9 (0.63) SLC6A9SLC6A4SLC6A2SLC6A3MEN1
Hydrochloric Acid SCHEMBL9857132 0.74 SLC6A4 (0.59) SLC6A9ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL9733971 0.72 SLC6A9 (0.50) SLC6A9PPARGPPARAALDH1A1SLC6A4
SCHEMBL9857070 0.70 SLC6A9 (0.52) SLC6A9PPARGPPARAALDH1A1CNR1
SCHEMBL9857396 0.69 SLC6A4 (0.54) SLC6A9PPARGPPARAALDH1A1SLC6A4
SCHEMBL13821690 0.67 SLC6A9 (0.46) SLC6A9ALDH1A1SLC6A4SLC6A2SLC6A3
SCHEMBL6491675 0.66 FFAR1 (0.55) PPARG

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
US-4996235-A Selectively inhibiting the uptake of serotonin and norepinephrine ELI LILLY AND COMPANY (US) 1991-02-26 US disclosed
EP-0318233-A2 Improvements in or relating to serotonin and norepinephrine uptake inhibitors ELI LILLY AND COMPANY (US) 1989-05-31 EP disclosed