SCHEMBL20157490

SCHEMBL20157490

Cc1cc(C)c(C(=O)N2CCN(c3cc(F)c(F)cc3C#N)CC2C)cc1CN1CCN(c2ccccc2C#N)CC1C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.45
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
CHRM2 P08172 4/20 0.43
CHRM4 P08173 5/20 0.40
MAPT P10636 2/20 0.37
CHRM1 P11229 3/20 0.37
DPP4 P27487 1/20 0.37
CHRM5 P08912 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL20140721 1.00 GRM1 (0.45) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20141986 0.87 MTOR (0.48) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140022 0.86 CHRM2 (0.49) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140800 0.86 CHRM2 (0.53) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20156987 0.86 GRM1 (0.43) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140416 0.86 GRM1 (0.43) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20141016 0.85 MTOR (0.53) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140905 0.84 CHRM2 (0.51) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140908 0.84 CHRM2 (0.51) GRM1MTORRPTORMLST8CHRM2
SCHEMBL20140941 0.84 GRM1 (0.46) GRM1MTORRPTORMLST8CHRM2

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