SCHEMBL20140690

SCHEMBL20140690

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 1/20 0.43
CHRM4 P08173 7/20 0.40
CHRM2 P08172 5/20 0.39
MTOR P42345 1/20 0.37
RPTOR Q8N122 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
CHRM1 P11229 4/20 0.36
CHRM5 P08912 2/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
DRD2 P14416 3/20 0.36
DRD4 P21917 3/20 0.36
DRD3 P35462 2/20 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
SCHEMBL20139952 0.93 GRM1 (0.43) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20140102 0.91 GRM1 (0.40) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20156992 0.91 GRM1 (0.40) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20139902 0.89 GRM1 (0.45) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20140242 0.87 MTOR (0.46) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20157203 0.84 GRM1 (0.39) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20157201 0.80 GRM1 (0.41) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20156989 0.80 GRM1 (0.41) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20157202 0.79 MTOR (0.43) GRM1CHRM4CHRM2MTORRPTOR
SCHEMBL20157138 0.76 MTOR (0.49) GRM1CHRM4CHRM2MTORRPTOR

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