SCHEMBL20157448

SCHEMBL20157448

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3[S+](N)[O-])CC2C)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.47
MTOR P42345 8/20 0.45
RPTOR Q8N122 8/20 0.45
MLST8 Q9BVC4 8/20 0.45
NAMPT P43490 1/20 0.38
GRM5 P41594 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
TACR3 P29371 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
MC4R P32245 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL20157190 0.85 GRM1 (0.47) GRM1MTORRPTORMLST8NAMPT
SCHEMBL20142672 0.85 MTOR (0.50) GRM1MTORRPTORMLST8NAMPT
SCHEMBL20142669 0.85 MTOR (0.50) GRM1MTORRPTORMLST8NAMPT
SCHEMBL20140684 0.84 MTOR (0.51) GRM1MTORRPTORMLST8NAMPT
SCHEMBL20156938 0.84 MTOR (0.51) GRM1MTORRPTORMLST8NAMPT
SCHEMBL20157143 0.81 MTOR (0.45) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20141016 0.78 MTOR (0.53) GRM1MTORRPTORMLST8MEN1
SCHEMBL20156949 0.76 MTOR (0.54) MTORRPTORMLST8NAMPTGRM5
SCHEMBL20140709 0.76 GRM1 (0.50) GRM1MTORRPTORMLST8MEN1
SCHEMBL20142060 0.76 GRM1 (0.50) GRM1MTORRPTORMLST8MEN1

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