SCHEMBL20156992

SCHEMBL20156992

Cc1cc(CCCNC(=O)OC(C)(C)C)c(C(=O)N2CCN(c3ccccc3C#N)C[C@H]2C)cc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.40
DRD2 P14416 8/20 0.38
CHRM4 P08173 6/20 0.37
CHRM2 P08172 1/20 0.36
MTOR P42345 1/20 0.36
RPTOR Q8N122 1/20 0.36
MLST8 Q9BVC4 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD4 P21917 2/20 0.34
DRD3 P35462 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
HTR2A P28223 1/20 0.34
THPO P40225 1/20 0.34
HIF1A Q16665 1/20 0.34
RORC P51449 1/20 0.34

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
SCHEMBL20140102 1.00 GRM1 (0.40) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20157203 0.94 GRM1 (0.39) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20140690 0.91 GRM1 (0.43) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20156989 0.90 GRM1 (0.41) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20157201 0.90 GRM1 (0.41) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20157202 0.89 MTOR (0.43) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20139952 0.84 GRM1 (0.43) GRM1DRD2CHRM4CHRM2MTOR
SCHEMBL20157522 0.81 CHRM1 (0.43) GRM1CHRM4CHRM2
SCHEMBL20140810 0.81 CHRM1 (0.43) GRM1CHRM4CHRM2
SCHEMBL20157521 0.80 CHRM4 (0.44) DRD2CHRM4CHRM2MTORRPTOR

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