SCHEMBL20140606

SCHEMBL20140606

Cc1ccc(C(=O)N2CCN(c3cccnn3)CC2)c(C)c1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
SLC6A7 Q99884 1/20 0.43
DRD4 P21917 3/20 0.40
DRD2 P14416 3/20 0.40
DRD3 P35462 3/20 0.40
ALDH1A1 P00352 2/20 0.40
AR P10275 1/20 0.39
TACR3 P29371 1/20 0.39
PARP1 P09874 1/20 0.38
NPC1 O15118 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 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
SCHEMBL20156930 0.86 MTOR (0.46) MTORRPTORMLST8SLC6A7DRD4
SCHEMBL20156928 0.85 MTOR (0.49) MTORRPTORMLST8SLC6A7DRD4
SCHEMBL20141581 0.81 P2RX7 (0.48) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140576 0.81 MTOR (0.48) MTORRPTORMLST8SLC6A7DRD4
SCHEMBL20159131 0.80 MTOR (0.65) MTORRPTORMLST8SLC6A7DRD4
SCHEMBL20157059 0.80 DRD4 (0.50) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157060 0.77 DRD4 (0.43) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139936 0.76 MTOR (0.46) MTORRPTORMLST8SLC6A7ALDH1A1
SCHEMBL20141466 0.76 MTOR (0.46) MTORRPTORMLST8SLC6A7ALDH1A1
SCHEMBL20141458 0.75 MTOR (0.65) MTORRPTORMLST8SLC6A7ALDH1A1

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