SCHEMBL20140682

SCHEMBL20140682

Cc1cc(CCCNC(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccc(F)cn3)C[C@@H]2C)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 6/20 0.44
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
CHRM1 P11229 5/20 0.39
RET P07949 1/20 0.39
DRD2 P14416 5/20 0.37
CHRM2 P08172 5/20 0.37
CHRM5 P08912 1/20 0.37
PPARG P37231 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
SCHEMBL20157521 1.00 CHRM4 (0.44) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20157202 0.91 MTOR (0.43) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20156877 0.88 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20156876 0.88 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20156856 0.88 MTOR (0.44) CHRM4MTORRPTORMLST8CHRM1
Trifluoroacetic Acid SCHEMBL20140703 0.86 CHRM4 (0.42) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140070 0.85 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140046 0.85 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20140048 0.85 MTOR (0.47) CHRM4MTORRPTORMLST8CHRM1
SCHEMBL20139933 0.83 CHRM1 (0.44) CHRM4CHRM1CHRM2PPARG

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