SCHEMBL3908616

SCHEMBL3908616

O=C1O[C@]2(CCNC2)c2c(C(=O)C3(c4ccc(F)cc4F)CC3)ccnc21

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 4/20 0.35
CNR1 P21554 3/20 0.33
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
PDE4B Q07343 2/20 0.31
MAPKAPK2 P49137 2/20 0.31
THRB P10828 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL4078060 0.87 NPY5R (0.34) NPY5RMAPKAPK2
SCHEMBL3910622 0.79 HSD11B1 (0.37)
SCHEMBL3900058 0.79 SLC6A2 (0.33) MAPKAPK2HDAC3HDAC1HDAC2
SCHEMBL3903174 0.77 HSD11B1 (0.32)
SCHEMBL3902888 0.76 SLC6A2 (0.35) MAPKAPK2
SCHEMBL3904113 0.75 HSD11B1 (0.33)
SCHEMBL3096754 0.73 HCAR3 (0.30) HCAR3HCAR2THRB
SCHEMBL4703949 0.68 P2RX7 (0.33)
SCHEMBL17386525 0.68 THRB (0.32) CNR1HCAR3HCAR2THRB
SCHEMBL3969989 0.67 HSD11B1 (0.40) NPY5R

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 disclosed
EP-1756063-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-02-28 EP disclosed
WO-2005110992-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2005-11-24 WO disclosed