SCHEMBL3969989

SCHEMBL3969989

CNC(=O)c1ccc(-c2ccc(C3(C(=O)c4nccc5c4C(=O)OC54CCNC4)CC3)c(F)c2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.40
OTUD7B Q6GQQ9 2/20 0.35
MAPT P10636 1/20 0.34
ROCK2 O75116 2/20 0.33
ROCK1 Q13464 1/20 0.33
CTSC P53634 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
PIP5K1C O60331 1/20 0.32
PIK3CA P42336 1/20 0.32
PI4KA P42356 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
NPY5R Q15761 1/20 0.31
KIT P10721 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
SYK P43405 1/20 0.31
KDR P35968 1/20 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
SCHEMBL351298 0.92 HSD11B1 (0.37) HSD11B1ROCK2ROCK1CTSCFGFR1
SCHEMBL3973792 0.77 HDAC4 (0.36) NPY5R
SCHEMBL3970265 0.75 PIK3C3 (0.36) FGFR1KDR
SCHEMBL3970810 0.73 AKT1 (0.32) HSD11B1
SCHEMBL3096754 0.72 HCAR3 (0.30)
SCHEMBL3099585 0.72 HSD11B1 (0.39) HSD11B1NPY5R
SCHEMBL348549 0.70 HSD11B1 (0.66) HSD11B1NPY5R
SCHEMBL349550 0.70 HSD11B1 (0.66) HSD11B1NPY5R
SCHEMBL348550 0.70 HSD11B1 (0.66) HSD11B1NPY5R
SCHEMBL349551 0.70 HSD11B1 (0.66) HSD11B1NPY5R

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