SCHEMBL20141789

SCHEMBL20141789

C[C@H]1CN(c2cccc3cnn(COCC[Si](C)(C)C)c23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
MAP4K4 O95819 1/20 0.41
HDAC1 Q13547 1/20 0.39
SUV39H2 Q9H5I1 2/20 0.35
SETD7 Q8WTS6 1/20 0.34
CXCR3 P49682 3/20 0.34
KCNH2 Q12809 1/20 0.34
NR1H2 P55055 5/20 0.33
SPR P35270 2/20 0.33
TGM2 P21980 1/20 0.33
NR1H3 Q13133 5/20 0.33
MAPT P10636 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
SCHEMBL20142084 0.86 MAP4K4 (0.41) GPR119MAP4K4HDAC1SUV39H2SETD7
SCHEMBL20141470 0.77 SLC16A3 (0.32)
SCHEMBL20141790 0.74 SLC16A3 (0.33)
SCHEMBL31211166 0.73 MET (0.32) MAP4K4
SCHEMBL31210691 0.73 MET (0.32) MAP4K4
SCHEMBL28520979 0.73 MAP4K4 (0.49) GPR119MAP4K4HDAC1SUV39H2NR1H2
SCHEMBL20139752 0.72 SUV39H2 (0.43) GPR119MAP4K4HDAC1SUV39H2SETD7
SCHEMBL20141793 0.72 SUV39H2 (0.43) GPR119MAP4K4HDAC1SUV39H2SETD7
SCHEMBL20139753 0.72 SUV39H2 (0.43) GPR119MAP4K4HDAC1SUV39H2SETD7
SCHEMBL20157182 0.72 SUV39H2 (0.43) GPR119MAP4K4HDAC1SUV39H2NR1H2

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed