SCHEMBL4961925

SCHEMBL4961925

CC(C)(CO)CN(C(=O)C1CC1)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
HTT P42858 1/20 0.45
PDK2 Q15119 5/20 0.44
GPR88 Q9GZN0 2/20 0.38
NR1H4 Q96RI1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CNR1 P21554 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL5305249 0.76 CNR2 (0.51) CNR2HTTPDK2GPR88NR1H4
SCHEMBL3916812 0.72 PDK2 (0.59) CNR2HTTPDK2HSD17B1HSD17B2
SCHEMBL27771335 0.69 CNR2 (0.44) CNR2HTTPDK2CYP3A4HSD17B1
SCHEMBL4966178 0.69 CNR2 (0.60) CNR2HTTNR1H4CNR1LMNA
SCHEMBL6420648 0.68 HTT (0.43) CNR2HTTPDK2CYP3A4CNR1
SCHEMBL4970084 0.68 HTT (0.44) CNR2HTTPDK2NR1H4MEN1
SCHEMBL5133736 0.68 CNR2 (0.49) CNR2HTTPDK2NR1H4CYP3A4
SCHEMBL4963412 0.68 HTT (0.55) CNR2HTTGPR88MEN1KMT2A
SCHEMBL4969869 0.68 HTT (0.63) CNR2HTTCNR1MEN1KMT2A
SCHEMBL4961889 0.68 HTT (0.51) CNR2HTTPDK2NR1H4CNR1

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