SCHEMBL9856539

SCHEMBL9856539

CCOC(=O)/C=C(\Cc1ccc(C(F)(F)F)cc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.53
NPSR1 Q6W5P4 2/20 0.41
EPHX2 P34913 2/20 0.41
PPARG P37231 1/20 0.41
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
MAOB P27338 1/20 0.40
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.40
POLB P06746 1/20 0.40
CNR2 P34972 1/20 0.40
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MAPK1 P28482 1/20 0.39
OPRK1 P41145 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
SCHEMBL13675556 0.84 ALDH1A1 (0.50) EPHX2KMT2AMEN1MAPTPOLB
SCHEMBL7683706 0.83 CYP19A1 (0.44) KMT2AMEN1MAPTNPC1
SCHEMBL7805240 0.82 HTT (0.48) NPSR1KMT2AMEN1MAPTNPC1
SCHEMBL1874592 0.78 TACR1 (0.48) PDPK1
SCHEMBL1874593 0.78 TACR1 (0.48) PDPK1
SCHEMBL17881680 0.77 MAPT (0.48) NPSR1KMT2AMEN1MAPTPOLB
SCHEMBL8996036 0.77 RAB9A (0.55) NPSR1KMT2AMEN1MAPTPOLB
SCHEMBL30040031 0.76 MAPT (0.50) NPSR1KMT2AMEN1MAPTPOLB
SCHEMBL6524085 0.76 MAPT (0.50) NPSR1KMT2AMEN1MAPTPOLB
SCHEMBL6524082 0.76 MAPT (0.50) NPSR1KMT2AMEN1MAPTPOLB

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