SCHEMBL6052124

SCHEMBL6052124

CC(C)(C)OC(=O)N1CCN(C2CCN(c3ccc(N)cc3C#N)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.47
GPR119 Q8TDV5 12/20 0.45
NR1H2 P55055 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MGLL Q99685 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OGFRL1 Q5TC84 1/20 0.41

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
SCHEMBL594432 0.89 MAPT (0.54) GPR119NR1H2GAAMAPTHSD17B10
SCHEMBL29665264 0.89 MAPT (0.54) GPR119NR1H2GAAMAPTHSD17B10
SCHEMBL24351663 0.85 HRH3 (0.51) GPR119NR1H2GAAHRH3OPRM1
SCHEMBL6052351 0.85 MAPT (0.50) GPR119NR1H2GAAMAPTHSD17B10
SCHEMBL25194818 0.84 KDM4E (0.46) GPR119NR1H2MAPTHRH3
SCHEMBL10126921 0.82 HRH3 (0.47) GPR119NR1H2GAAMAPTHRH3
SCHEMBL13313520 0.81 GPR119 (0.59) GPR119MAPTHRH3
SCHEMBL31333261 0.81 HRH3 (0.51) GPR119NR1H2GAAMAPTHRH3
SCHEMBL6052489 0.80 MAPT (0.50) IRAK4GAAMAPTHSD17B10
SCHEMBL20884909 0.79 GPR119 (0.52) GPR119NR1H2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
CN-1230421-C Amide compound and pharmaceutical use thereof MITSUBISHI CHEM CORP (JP) 2005-12-07 CN disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed