SCHEMBL20157241

SCHEMBL20157241

Cc1cc(C)c(C(=O)N2CC3CCN(c4ccccc4C#N)CC2C3)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 3/20 0.41
MTOR P42345 7/20 0.41
RPTOR Q8N122 7/20 0.41
MLST8 Q9BVC4 7/20 0.41
GRM5 P41594 1/20 0.36
HCRTR2 O43614 4/20 0.36
HCRTR1 O43613 3/20 0.36
DRD4 P21917 2/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
KDM1A O60341 1/20 0.33
ADAM17 P78536 2/20 0.33

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
SCHEMBL20139990 0.83 MTOR (0.40) GRM1MTORRPTORMLST8GRM5
SCHEMBL20139970 0.83 GRM1 (0.39) GRM1MTORRPTORMLST8GRM5
SCHEMBL20139868 0.78 MTOR (0.52) MTORRPTORMLST8GRM5DRD4
SCHEMBL30280978 0.73 FASN (0.52) DRD4
SCHEMBL20157245 0.73 GRM1 (0.46) GRM1GRM5ADAM17
SCHEMBL20139865 0.72 P2RX7 (0.48) MTORRPTORMLST8
SCHEMBL20140694 0.71 MTOR (0.50) MTORRPTORMLST8GRM5
SCHEMBL20139953 0.70 CHRM2 (0.46) GRM1MTORRPTORMLST8
SCHEMBL20156789 0.69 MTOR (0.49) GRM1MTORRPTORMLST8GRM5
SCHEMBL20140690 0.69 GRM1 (0.43) GRM1MTORRPTORMLST8DRD4

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