SCHEMBL20139239

SCHEMBL20139239

C[C@H]1CN(c2cc(F)c(F)c(F)c2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.50
NR1H3 Q13133 1/20 0.50
CHRM4 P08173 12/20 0.48
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
MAP4K4 O95819 1/20 0.47
CHRM3 P20309 1/20 0.46
SUV39H2 Q9H5I1 1/20 0.45
HDAC1 Q13547 1/20 0.45
GPR119 Q8TDV5 1/20 0.45

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
SCHEMBL16333806 0.89 NR1H2 (0.48) NR1H2NR1H3CHRM4CHRM2CHRM1
SCHEMBL20139196 0.89 NR1H2 (0.48) NR1H2NR1H3CHRM4CHRM2CHRM1
SCHEMBL17385248 0.88 MAP4K4 (0.48) NR1H2NR1H3CHRM4MAP4K4SUV39H2
SCHEMBL20139589 0.88 NR1H2 (0.59) NR1H2NR1H3CHRM2CHRM1MAP4K4
SCHEMBL19107116 0.87 NR1H2 (0.46) NR1H2NR1H3CHRM4CHRM2CHRM1
SCHEMBL18186172 0.85 NR1H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2HDAC1
SCHEMBL30426972 0.85 NR1H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2HDAC1
SCHEMBL31342338 0.85 NR1H2 (0.53) NR1H2NR1H3CHRM2CHRM1MAP4K4
SCHEMBL30426904 0.85 NR1H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2HDAC1
SCHEMBL16824838 0.85 NR1H2 (0.53) NR1H2NR1H3MAP4K4SUV39H2HDAC1

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 2 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