SCHEMBL4757069

SCHEMBL4757069

CC(C)(Oc1ccc(-c2ccccn2)cc1)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc12

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 0.65
NPY5R Q15761 4/20 0.48
CYP2D6 P10635 1/20 0.44

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
SCHEMBL4754302 1.00 HSD11B1 (0.65) HSD11B1NPY5RCYP2D6
SCHEMBL6080148 0.86 HSD11B1 (0.54) HSD11B1NPY5RCYP2D6
SCHEMBL4759179 0.85 NPY5R (0.53) HSD11B1NPY5RCYP2D6
SCHEMBL4757523 0.85 NPY5R (0.53) HSD11B1NPY5RCYP2D6
SCHEMBL6080897 0.84 HSD11B1 (0.61) HSD11B1NPY5RCYP2D6
SCHEMBL6080875 0.84 HSD11B1 (0.61) HSD11B1NPY5RCYP2D6
SCHEMBL6080425 0.83 HSD11B1 (0.52) HSD11B1NPY5RCYP2D6
SCHEMBL4758065 0.82 HSD11B1 (0.51) HSD11B1NPY5RCYP2D6
SCHEMBL4758063 0.82 HSD11B1 (0.51) HSD11B1NPY5RCYP2D6
SCHEMBL4758782 0.82 HSD11B1 (0.48) HSD11B1NPY5RCYP2D6

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-1758582-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1758582-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 EP claimed
WO-2006002349-A1 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-01-05 WO claimed