SCHEMBL4963705

SCHEMBL4963705

O=C(C1CC1)N(c1ccc(Cl)cc1)C1CCOC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 2/20 0.38
CHRM2 P08172 4/20 0.37
CHRM3 P20309 4/20 0.37
PDK2 Q15119 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CNR2 P34972 1/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 3/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
CYP3A4 P08684 1/20 0.34
NPC1 O15118 2/20 0.34
PYGL P06737 1/20 0.34
BCL2A1 Q16548 1/20 0.34
MEN1 O00255 2/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL4964874 0.79 CHRM2 (0.43) CHRM2CHRM3PDK2GPBAR1CNR2
SCHEMBL4961973 0.79 CHRM2 (0.49) CHRM2CHRM3PDK2GPBAR1CNR2
SCHEMBL4962025 0.74 PDK2 (0.37) CHRM2CHRM3PDK2GPBAR1CNR2
SCHEMBL3916812 0.72 PDK2 (0.59) PDK2GPBAR1CNR2HSD17B1HSD17B2
SCHEMBL4964791 0.69 CHRM2 (0.78) CHRM2CHRM3KMT2AMEN1
SCHEMBL5995052 0.69 ALDH1A1 (0.65) CHRM2CHRM3HTTKMT2ANPC1
SCHEMBL6420648 0.68 HTT (0.43) PDK2CNR2HSD17B1HSD17B2HTT
SCHEMBL24011411 0.67 EPHX1 (0.54) CYP46A1KMT2ANPC1MEN1RAB9A
Hydrochloric Acid SCHEMBL4000833 0.67 SLC6A2 (0.47) CHRM2CHRM3CNR2KMT2ACYP3A4
SCHEMBL4962493 0.67 CNR1 (0.44) CHRM2CHRM3HSD17B1HSD17B2HTT

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-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