SCHEMBL20140706

SCHEMBL20140706

Cc1cc(C)c(C(=O)N2CCN(c3ccc(F)c(F)c3)C(=O)C2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.46
RPTOR Q8N122 7/20 0.46
MLST8 Q9BVC4 7/20 0.46
DPP4 P27487 1/20 0.41
P2RX7 Q99572 5/20 0.41
PARP1 P09874 1/20 0.40
DRD4 P21917 2/20 0.39
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38

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
SCHEMBL20141373 0.90 MTOR (0.49) MTORRPTORMLST8P2RX7PARP1
SCHEMBL20139945 0.84 MTOR (0.49) MTORRPTORMLST8P2RX7PARP1
SCHEMBL20140818 0.84 P2RX7 (0.46) MTORRPTORMLST8P2RX7DRD4
SCHEMBL20141003 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140926 0.84 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20141543 0.83 MTOR (0.54) MTORRPTORMLST8DPP4PARP1
SCHEMBL20140200 0.83 MTOR (0.59) MTORRPTORMLST8PARP1DRD4
SCHEMBL20140824 0.81 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140235 0.81 MTOR (0.67) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141188 0.81 MTOR (0.56) MTORRPTORMLST8DPP4PARP1

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