SCHEMBL20157463

SCHEMBL20157463

Cc1cc(C)c(C(=O)O)cc1CN1[C@H](C)CN(c2ccccc2C#N)C[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.41
MTOR P42345 3/20 0.41
RPTOR Q8N122 3/20 0.41
MLST8 Q9BVC4 3/20 0.41
NOTUM Q6P988 1/20 0.38
DRD4 P21917 5/20 0.38
DRD2 P14416 3/20 0.38
DRD3 P35462 2/20 0.38
BRD4 O60885 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTR2A P28223 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
GRM2 Q14416 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
SCHEMBL20157462 0.89 KDM4E (0.40) GRM1MTORRPTORMLST8DRD4
SCHEMBL20140941 0.87 GRM1 (0.46) GRM1MTORRPTORMLST8DRD4
SCHEMBL20140126 0.82 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
Hydrochloric Acid SCHEMBL20140671 0.81 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140022 0.80 CHRM2 (0.49) GRM1MTORRPTORMLST8CHRM4
SCHEMBL20156791 0.79 MTOR (0.52) GRM1MTORRPTORMLST8DRD4
SCHEMBL20139980 0.79 MTOR (0.46) GRM1MTORRPTORMLST8DRD4
SCHEMBL20141432 0.78 MTOR (0.50) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140782 0.78 CHRM4 (0.44) MTORRPTORMLST8NOTUMDRD4
SCHEMBL20140667 0.78 TRPC5 (0.42) MTORRPTORMLST8DRD4DRD2

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