SCHEMBL20156960

SCHEMBL20156960

C[C@H]1CN(c2ccc(F)cn2)CCN1C(=O)c1cc(CN2CCN(c3ccccc3C#N)CC2)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.50
MTOR P42345 1/20 0.44
RPTOR Q8N122 1/20 0.44
MLST8 Q9BVC4 1/20 0.44
GRM1 Q13255 2/20 0.44
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
CHRM5 P08912 1/20 0.41
PARP1 P09874 1/20 0.40

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
SCHEMBL20140218 1.00 CHRM4 (0.50) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20140668 0.93 CHRM4 (0.51) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20156969 0.93 CHRM4 (0.51) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20157251 0.86 PARP1 (0.49) MTORRPTORMLST8PARP1
SCHEMBL20140046 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20140070 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20140048 0.86 MTOR (0.47) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20142107 0.83 GRM1 (0.47) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20156876 0.82 MTOR (0.44) CHRM4MTORRPTORMLST8GRM1
SCHEMBL20156877 0.82 MTOR (0.44) CHRM4MTORRPTORMLST8GRM1

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