SCHEMBL4964874

SCHEMBL4964874

O=C(C1CC1)N(c1ccc(Cl)cc1)C1CCC(O)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 6/20 0.43
CHRM3 P20309 6/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
PDK2 Q15119 1/20 0.40
CNR2 P34972 1/20 0.39
HTT P42858 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
C5AR1 P21730 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CYP3A4 P08684 1/20 0.37
KCNH2 Q12809 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL4961973 0.87 CHRM2 (0.49) CHRM2CHRM3GPBAR1PDK2CNR2
SCHEMBL4963705 0.79 CYP46A1 (0.38) CHRM2CHRM3GPBAR1PDK2CNR2
SCHEMBL28001525 0.78 CHRM2 (0.52) CHRM2CHRM3GPBAR1KMT2AMEN1
SCHEMBL29002632 0.76 CHRM2 (0.48) CHRM2CHRM3GPBAR1HTTKMT2A
SCHEMBL3916812 0.76 PDK2 (0.59) GPBAR1PDK2CNR2HTTHSD17B1
SCHEMBL4964791 0.76 CHRM2 (0.78) CHRM2CHRM3KMT2AMEN1
SCHEMBL4965251 0.73 CHRM2 (0.45) CHRM2CHRM3HTTKMT2AMEN1
SCHEMBL4962025 0.73 PDK2 (0.37) CHRM2CHRM3GPBAR1PDK2CNR2
SCHEMBL6420648 0.73 HTT (0.43) PDK2CNR2HTTHSD17B1HSD17B2
Hydrochloric Acid SCHEMBL4000833 0.71 SLC6A2 (0.47) CHRM2CHRM3CNR2KMT2AMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP claimed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP claimed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed