SCHEMBL4078060

SCHEMBL4078060

O=C1O[C@]2(CCNC2)c2c(C(=O)C3(c4ccc(F)cc4)CC3)ccnc21

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.34
HSD11B1 P28845 4/20 0.31
P2RX7 Q99572 1/20 0.31
MAPKAPK2 P49137 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
SCHEMBL3910622 0.90 HSD11B1 (0.37) HSD11B1
SCHEMBL1321495 0.88 P2RX7 (0.34) NPY5RP2RX7
SCHEMBL3902888 0.87 SLC6A2 (0.35) MAPKAPK2
SCHEMBL3908616 0.87 NPY5R (0.35) NPY5RMAPKAPK2
SCHEMBL3900058 0.85 SLC6A2 (0.33) MAPKAPK2
SCHEMBL3903174 0.85 HSD11B1 (0.32) HSD11B1
SCHEMBL3904113 0.83 HSD11B1 (0.33) HSD11B1
SCHEMBL3969701 0.71 RORC (0.36)
SCHEMBL4703949 0.71 P2RX7 (0.33) P2RX7
SCHEMBL3970810 0.68 AKT1 (0.32) HSD11B1

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