SCHEMBL20141579

SCHEMBL20141579

C[C@H]1CN(c2ccc(F)cn2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.61
HDAC1 Q13547 3/20 0.60
MAP4K4 O95819 1/20 0.58
GPR119 Q8TDV5 2/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.50
SLC6A9 P48067 5/20 0.46
NTRK1 P04629 2/20 0.45
HRH3 Q9Y5N1 1/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
HDAC3 O15379 1/20 0.42
CYP2C9 P11712 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MAPKAPK3 Q16644 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42

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
SCHEMBL31045861 1.00 GRM1 (0.61) GRM1HDAC1MAP4K4GPR119CHRM4
SCHEMBL28966496 0.87 HDAC1 (0.58) HDAC1MAP4K4GPR119CHRM1SLC6A9
SCHEMBL28966494 0.87 HDAC1 (0.58) HDAC1MAP4K4GPR119CHRM1SLC6A9
SCHEMBL28966549 0.87 HDAC1 (0.58) HDAC1MAP4K4GPR119CHRM1SLC6A9
SCHEMBL31552986 0.86 HDAC1 (0.60) GRM1HDAC1MAP4K4GPR119DDB1
SCHEMBL18822849 0.86 HDAC1 (0.66) GRM1HDAC1MAP4K4GPR119HDAC3
SCHEMBL15986821 0.86 HDAC1 (0.66) GRM1HDAC1MAP4K4GPR119HDAC3
SCHEMBL30427129 0.86 HDAC1 (0.66) GRM1HDAC1MAP4K4GPR119HDAC3
SCHEMBL18149851 0.86 HDAC1 (0.60) GRM1HDAC1MAP4K4GPR119DDB1
SCHEMBL30767297 0.86 HDAC1 (0.60) GRM1HDAC1MAP4K4GPR119DDB1

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