SCHEMBL20140800

SCHEMBL20140800

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.53
MTOR P42345 7/20 0.52
RPTOR Q8N122 7/20 0.52
MLST8 Q9BVC4 7/20 0.52
CHRM4 P08173 6/20 0.44
GRM1 Q13255 1/20 0.44
CHRM1 P11229 3/20 0.41
CHRM5 P08912 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 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
SCHEMBL20140905 0.97 CHRM2 (0.51) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20140908 0.97 CHRM2 (0.51) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20141016 0.93 MTOR (0.53) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20139926 0.92 CHRM2 (0.50) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20140022 0.92 CHRM2 (0.49) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20156832 0.89 MTOR (0.59) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20141846 0.89 MTOR (0.59) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20140043 0.88 CHRM2 (0.46) CHRM2MTORRPTORMLST8CHRM4
SCHEMBL20156938 0.88 MTOR (0.51) CHRM2MTORRPTORMLST8GRM1
SCHEMBL20140684 0.88 MTOR (0.51) CHRM2MTORRPTORMLST8GRM1

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