SCHEMBL20139779

SCHEMBL20139779

CC(C)(C)OC(=O)N1CCn2c(nc3ccccc32)C1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
HTT P42858 1/20 0.60
ALDH1A1 P00352 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
GAA P10253 1/20 0.51
NR1H2 P55055 1/20 0.47
KMT2A Q03164 2/20 0.47
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
OGFRL1 Q5TC84 1/20 0.46
CHRM2 P08172 1/20 0.46
CHRM4 P08173 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 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
SCHEMBL31029003 0.86 TSHR (0.66) TSHRHTTALDH1A1L3MBTL1POLB
SCHEMBL30138845 0.83 NR1H2 (0.44) TSHRHTTALDH1A1L3MBTL1POLB
SCHEMBL9968767 0.83 NR1H2 (0.44) TSHRHTTALDH1A1POLBMAPT
SCHEMBL25419579 0.83 NR1H2 (0.44) TSHRHTTALDH1A1L3MBTL1POLB
SCHEMBL27432394 0.82 NR1H2 (0.45) TSHRHTTALDH1A1POLBMAPT
SCHEMBL3436138 0.82 HTT (0.43) TSHRHTTALDH1A1L3MBTL1MAPT
SCHEMBL31029028 0.81 NR1H2 (0.44) TSHRHTTPOLBNR1H2MAPK1
SCHEMBL27432029 0.81 NR1H2 (0.44) TSHRHTTALDH1A1POLBMAPT
SCHEMBL27432553 0.81 NR1H2 (0.44) TSHRHTTPOLBNR1H2MAPK1
SCHEMBL15290072 0.81 GPR119 (0.45) NR1H2

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-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