SCHEMBL4757016

SCHEMBL4757016

CC(C)(SCc1ccccc1Cl)C(=O)N1CC[C@@]2(C1)OC(=O)c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 12/20 0.51
CYP2D6 P10635 1/20 0.51
NPY5R Q15761 3/20 0.45
HRH3 Q9Y5N1 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
AVPR1A P37288 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL4755631 1.00 HSD11B1 (0.51) HSD11B1CYP2D6NPY5RHRH3SIGMAR1
SCHEMBL4759117 0.80 HSD11B1 (0.61) HSD11B1CYP2D6NPY5RHRH3SIGMAR1
SCHEMBL4759115 0.80 HSD11B1 (0.61) HSD11B1CYP2D6NPY5RHRH3SIGMAR1
SCHEMBL4757502 0.79 HSD11B1 (0.52) HSD11B1CYP2D6NPY5RHRH3SIGMAR1
SCHEMBL4757345 0.76 HSD11B1 (0.64) HSD11B1CYP2D6NPY5RAVPR1A
SCHEMBL4757352 0.76 HSD11B1 (0.64) HSD11B1CYP2D6NPY5RAVPR1A
SCHEMBL6079664 0.76 HSD11B1 (0.61) HSD11B1CYP2D6NPY5RHRH3SIGMAR1
SCHEMBL6080897 0.74 HSD11B1 (0.61) HSD11B1CYP2D6NPY5RAVPR1AALDH1A1
SCHEMBL6080875 0.74 HSD11B1 (0.61) HSD11B1CYP2D6NPY5RAVPR1AALDH1A1
SCHEMBL4759099 0.74 ALDH1A1 (0.47) HSD11B1HRH3ALDH1A1HTT

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