SCHEMBL20149925

SCHEMBL20149925

COC(=O)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@@H](C)N1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTR2C P28335 1/20 0.47
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1I Q9P0X4 1/20 0.44
PDE4B Q07343 2/20 0.44
MITF O75030 1/20 0.43
MAPT P10636 1/20 0.43
PARP1 P09874 1/20 0.42
CTSL P07711 1/20 0.42
CYP2C19 P33261 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 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
SCHEMBL2044905 0.90 HTR2C (0.57) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL30748760 0.90 HTR2C (0.57) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6089160 0.88 HTT (0.47) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL6087581 0.84 HTT (0.43) SMN1; SMN2HTTNPC1RAB9AHTR2C
SCHEMBL21100002 0.83 PDK1 (0.49) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL3605859 0.82 SMN1; SMN2 (0.50) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL20129643 0.82 PARP1 (0.55) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL2820733 0.82 PARP1 (0.55) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL13681760 0.82 PARP1 (0.55) PDK1PDK2PDK3PDK4SMN1; SMN2
SCHEMBL14348081 0.80 SMN1; SMN2 (0.49) PDK1PDK2PDK3PDK4SMN1; SMN2

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed