SCHEMBL20140043

SCHEMBL20140043

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(C#N)cc3F)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1(C)C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.46
GRM1 Q13255 1/20 0.42
MTOR P42345 4/20 0.41
RPTOR Q8N122 4/20 0.41
MLST8 Q9BVC4 4/20 0.41
CHRM4 P08173 6/20 0.37
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CHRM1 P11229 3/20 0.36
CHRM5 P08912 1/20 0.36

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
SCHEMBL20140800 0.88 CHRM2 (0.53) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140022 0.88 CHRM2 (0.49) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140908 0.87 CHRM2 (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140905 0.87 CHRM2 (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20139926 0.85 CHRM2 (0.50) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20157490 0.83 GRM1 (0.45) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140721 0.83 GRM1 (0.45) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20140684 0.82 MTOR (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20156938 0.82 MTOR (0.51) CHRM2GRM1MTORRPTORMLST8
SCHEMBL20156790 0.82 CHRM2 (0.48) CHRM2GRM1MTORRPTORMLST8

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-2018089433-A1 PHENYL 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