SCHEMBL29686606

SCHEMBL29686606

CC(C)(C)OC(=O)N1CC2CN(Cc3ccc(N)nc3)CC21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.41
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 0.37
GPR119 Q8TDV5 8/20 0.37
ALOX5AP P20292 3/20 0.37
FEN1 P39748 3/20 0.37
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 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
SCHEMBL18201924 1.00 NAMPT (0.41) NAMPTPIK3CAMTORGPR119ALOX5AP
SCHEMBL18201818 0.86 KCNK3 (0.45) NAMPTPIK3CAMTORGPR119ALOX5AP
SCHEMBL16891558 0.84 NAMPT (0.39) NAMPTGPR119HDAC3HDAC4HDAC1
SCHEMBL16892090 0.84 NAMPT (0.39) NAMPTGPR119HDAC3HDAC4HDAC1
SCHEMBL18201933 0.83 GPR119 (0.38) NAMPTPIK3CAMTORGPR119ALOX5AP
SCHEMBL18201815 0.83 GPR119 (0.48) GPR119ALOX5APFEN1HDAC1GABRP
SCHEMBL18201922 0.83 GPR119 (0.44) GPR119HDAC1GABRPGABRDGABRA1
SCHEMBL1997213 0.78 MEN1 (0.49) GPR119MAP4K4
SCHEMBL30584532 0.78 MEN1 (0.49) GPR119MAP4K4
SCHEMBL18291485 0.77 GPR119 (0.48) GPR119HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3288931-B2 CERTAIN PROTEIN KINASE INHIBITOR CHONGQING FOCHON PHARMACEUTICAL CO LTD (CN) 2022-07-20 EP disclosed