SCHEMBL20142084

SCHEMBL20142084

C[C@H]1CN(c2cccc3ccn(COCC[Si](C)(C)C)c23)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.41
GPR119 Q8TDV5 2/20 0.40
HDAC1 Q13547 1/20 0.38
SUV39H2 Q9H5I1 2/20 0.37
SETD7 Q8WTS6 1/20 0.35
NR1H2 P55055 8/20 0.34
CXCR3 P49682 2/20 0.34
NR1H3 Q13133 8/20 0.33
MAPT P10636 1/20 0.33
CHRM4 P08173 1/20 0.33
KCNH2 Q12809 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
SCHEMBL20141789 0.86 GPR119 (0.41) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL20157182 0.81 SUV39H2 (0.43) MAP4K4GPR119HDAC1SUV39H2NR1H2
SCHEMBL20139753 0.81 SUV39H2 (0.43) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL20141793 0.81 SUV39H2 (0.43) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL20139752 0.81 SUV39H2 (0.43) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL29182837 0.79 SUV39H2 (0.39) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL29182836 0.79 SUV39H2 (0.39) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL20159137 0.76 BRD4 (0.34)
SCHEMBL30124281 0.75 GPR119 (0.35) MAP4K4GPR119HDAC1SUV39H2SETD7
SCHEMBL29182882 0.75 GPR119 (0.35) MAP4K4GPR119HDAC1SUV39H2SETD7

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed