SCHEMBL20139337

SCHEMBL20139337

C[C@H]1CN(c2ccc3[nH]ccc3c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 2/20 0.47
MAP4K4 O95819 1/20 0.46
NR1H2 P55055 11/20 0.45
NR1H3 Q13133 11/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
GPR119 Q8TDV5 2/20 0.42
GHSR Q92847 1/20 0.42
FAAH O00519 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
SCHEMBL20139336 1.00 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3CHRM5
SCHEMBL20157181 0.93 GHSR (0.49) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL4589914 0.84 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL4589911 0.84 SUV39H2 (0.47) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL1537817 0.82 MAPT (0.53) GPR119
SCHEMBL20139589 0.79 NR1H2 (0.59) SUV39H2MAP4K4NR1H2NR1H3CHRM1
SCHEMBL20159029 0.79 SUV39H2 (0.49) SUV39H2MAP4K4NR1H2NR1H3GPR119
SCHEMBL24792767 0.78 NR1H2 (0.44) SUV39H2MAP4K4NR1H2NR1H3FAAH
SCHEMBL24792791 0.78 NR1H2 (0.44) SUV39H2MAP4K4NR1H2NR1H3FAAH
SCHEMBL15441723 0.78 GPR119 (0.51) SUV39H2MAP4K4NR1H2NR1H3GPR119

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 3 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-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