SCHEMBL20142524

SCHEMBL20142524

Cc1cc(C)c(C(=O)N2CCn3c(cc4ccccc43)C2)cc1CN1CCCN(c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.44
RPTOR Q8N122 4/20 0.44
MLST8 Q9BVC4 4/20 0.44
SIGMAR1 Q99720 12/20 0.44
GRIN2B Q13224 1/20 0.41
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL20140766 0.92 MTOR (0.46) MTORRPTORMLST8SIGMAR1DRD2
SCHEMBL20140883 0.86 SIGMAR1 (0.44) MTORRPTORMLST8SIGMAR1DRD4
SCHEMBL20139962 0.85 MTOR (0.55) MTORRPTORMLST8GRIN2BDRD2
SCHEMBL20157356 0.84 MTOR (0.37) MTORRPTORMLST8SIGMAR1GRIN2B
SCHEMBL20140200 0.83 MTOR (0.59) MTORRPTORMLST8DRD2DRD4
SCHEMBL20156918 0.80 MTOR (0.55) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141432 0.80 MTOR (0.50) MTORRPTORMLST8GRIN2BDRD2
SCHEMBL20141373 0.80 MTOR (0.49) MTORRPTORMLST8DRD2DRD4
SCHEMBL20141866 0.79 MTOR (0.48) MTORRPTORMLST8DRD2DRD4
SCHEMBL20156824 0.79 MTOR (0.56) MTORRPTORMLST8DRD2DRD4

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 2 patents. 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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed