SCHEMBL20140111

SCHEMBL20140111

CC(C)(C)OC(=O)N1CCN(c2cc(F)c(F)c(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
PDK2 Q15119 1/20 0.50
GPR119 Q8TDV5 8/20 0.49
NAMPT P43490 1/20 0.47
CHRM4 P08173 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2C19 P33261 1/20 0.46
F13A1 P00488 1/20 0.45
TGM2 P21980 1/20 0.45
TGM1 P22735 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.45
DPP4 P27487 1/20 0.44
PIK3CA P42336 1/20 0.44

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
SCHEMBL671902 0.90 ALDH1A1 (0.48) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL31623073 0.89 MAPT (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL15754287 0.89 ALDH1A1 (0.52) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL671635 0.88 LMNA (0.47) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL4941010 0.87 LMNA (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL28505612 0.87 MAPT (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL27183715 0.87 MAPT (0.51) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL671649 0.87 LMNA (0.46) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL4941538 0.87 MAPT (0.56) MAPTALDH1A1LMNAPDK2GPR119
SCHEMBL20159003 0.86 MAPT (0.59) MAPTALDH1A1LMNAPDK2GPR119

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 4 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed
WO-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed