SCHEMBL3902888

SCHEMBL3902888

O=C1OC2(CCNC2)c2c(C(=O)C3(c4ccc(OC(F)(F)F)cc4)CC3)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE2A O00408 6/20 0.35
MAPKAPK2 P49137 3/20 0.34
AURKA O14965 1/20 0.33
RPS6KB1 P23443 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
CFTR P13569 1/20 0.32
MMP1 P03956 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
P2RY1 P47900 1/20 0.31
LGMN Q99538 2/20 0.31

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
SCHEMBL4078060 0.87 NPY5R (0.34) MAPKAPK2
SCHEMBL3910622 0.85 HSD11B1 (0.37)
SCHEMBL3900058 0.83 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL3903174 0.81 HSD11B1 (0.32)
SCHEMBL3904113 0.79 HSD11B1 (0.33)
SCHEMBL3908616 0.76 NPY5R (0.35) MAPKAPK2
SCHEMBL4703949 0.69 P2RX7 (0.33)
SCHEMBL3907137 0.68 PDE2A (0.32) PDE2AMEN1NPC1KMT2A
SCHEMBL350522 0.67 HSD11B1 (0.55) LGMN
SCHEMBL3972419 0.65 NR4A2 (0.39) MMP1MMP13

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-1756063-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2009-03-25 EP claimed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP claimed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO claimed