SCHEMBL9857073

SCHEMBL9857073

OCCC(Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 1/20 0.57
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
ACP3 P15309 3/20 0.43
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
KCNK2 O95069 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1C Q13936 1/20 0.41
PDPK1 O15530 1/20 0.40
CNR2 P34972 1/20 0.40
FPR2 P25090 1/20 0.40
PTPN1 P18031 1/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
KIF11 P52732 1/20 0.39

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
SCHEMBL2097831 0.83 MTNR1A (0.50) ACP3SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL9733971 0.81 SLC6A9 (0.50) SLC6A9PPARGPPARAACP3SLC6A2
SCHEMBL9856532 0.81 SLC6A4 (0.58) SLC6A9SLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL9857350 0.81 SLC6A9 (0.67) SLC6A9SLC6A4
Hydrochloric Acid SCHEMBL9857132 0.80 SLC6A4 (0.59) SLC6A9SLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL13204407 0.77 SLC6A9 (0.63) SLC6A9SLC6A2SLC6A4SLC6A3KCNK2
SCHEMBL9856746 0.76 SLC6A9 (0.52) SLC6A9PPARGPPARASLC6A2SLC6A4
SCHEMBL9857396 0.75 SLC6A4 (0.54) SLC6A9PPARGPPARASLC6A2SLC6A4
SCHEMBL1519602 0.73 DPP4 (0.47) PTPN1
SCHEMBL1519603 0.73 DPP4 (0.47) PTPN1

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