SCHEMBL3973792

SCHEMBL3973792

O=C1OC2(CCNC2)c2ccnc(C(=O)C3(c4c(F)cccc4Cl)CC3)c21

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
NPY5R Q15761 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
CHRNB2 P17787 1/20 0.30
CHRNA4 P43681 1/20 0.30

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
SCHEMBL3970810 0.79 AKT1 (0.32)
SCHEMBL2973860 0.77 HSD11B1 (0.31)
SCHEMBL3969989 0.77 HSD11B1 (0.40) NPY5R
SCHEMBL3907137 0.76 PDE2A (0.32)
SCHEMBL3099585 0.76 HSD11B1 (0.39) NPY5RCYP2D6
SCHEMBL3977568 0.76 HSD11B1 (0.33) CYP2D6
SCHEMBL3974626 0.75 HSD11B1 (0.33) HDAC4
SCHEMBL3976955 0.75 NPY5R (0.35) NPY5R
SCHEMBL3969701 0.75 RORC (0.36)
SCHEMBL3970265 0.75 PIK3C3 (0.36)

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