SCHEMBL8880888

SCHEMBL8880888

CC(C)(C)OC(=O)N1CCNCC1c1ccc(C#N)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.46
AR P10275 1/20 0.45
PARP1 P09874 1/20 0.41
NR1H2 P55055 3/20 0.38
NR1H3 Q13133 3/20 0.38
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
PTK2 Q05397 1/20 0.37
EGLN2 Q96KS0 1/20 0.37
KDM1A O60341 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL31470897 1.00 GPR119 (0.46) GPR119ARPARP1NR1H2NR1H3
SCHEMBL25913721 0.86 DPP4 (0.47) PARP1NR1H2NR1H3
SCHEMBL3697218 0.86 DPP4 (0.47) PARP1NR1H2NR1H3
SCHEMBL30741064 0.86 GPR119 (0.46) GPR119ARPARP1NR1H2NR1H3
SCHEMBL8140446 0.85 PARP1 (0.43) PARP1NR1H2NR1H3
SCHEMBL1673503 0.85 MEN1 (0.43) PARP1NR1H2NR1H3
SCHEMBL28304239 0.85 NR1H2 (0.50) PARP1NR1H2NR1H3
SCHEMBL21001077 0.85 GPR119 (0.52) GPR119ARNR1H2NR1H3JAK2
SCHEMBL22285173 0.85 NR1H2 (0.49) GPR119PARP1NR1H2NR1H3
SCHEMBL4325057 0.85 NR1H2 (0.49) GPR119PARP1NR1H2NR1H3

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
CN-1764650-B 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP 2010-06-16 CN disclosed
CN-1976935-A Pyrazolo- [4, 3-e]-1, 2, 4-triazolo- [1, 5-c]-pyrimidine adenosine A2AReceptor antagonists SCHERING CORP (US) 2007-06-06 CN disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 CN disclosed
US-5607936-A USEFUL IN TREATMENT OF RESPIRATORY DISEASES MERCK & CO., INC. (US) 1997-03-04 US disclosed
WO-1996010568-A1 SUBSTITUTED ARYL PIPERAZINES AS NEUROKININ ANTAGONISTS MERCK & CO., INC. (US) 1996-04-11 WO disclosed