SCHEMBL20156795

SCHEMBL20156795

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CC1(N)CCN(c2ccccc2C#N)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.49
RPTOR Q8N122 8/20 0.49
MLST8 Q9BVC4 8/20 0.49
DPP4 P27487 1/20 0.42
GRM5 P41594 1/20 0.42
NAMPT P43490 1/20 0.42
DRD4 P21917 4/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
THRB P10828 1/20 0.41
TACR3 P29371 1/20 0.40
PARP1 P09874 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL20156796 0.88 MTOR (0.47) MTORRPTORMLST8DPP4GRM5
SCHEMBL20157437 0.84 MTOR (0.45) MTORRPTORMLST8NAMPTDRD4
Trifluoroacetic Acid SCHEMBL20140050 0.83 MTOR (0.46) MTORRPTORMLST8DPP4GRM5
SCHEMBL20140200 0.83 MTOR (0.59) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20142053 0.82 MTOR (0.43) MTORRPTORMLST8DPP4GRM5
SCHEMBL20142054 0.82 MTOR (0.45) MTORRPTORMLST8GRM5NAMPT
SCHEMBL20140695 0.82 MTOR (0.51) MTORRPTORMLST8DPP4GRM5
SCHEMBL20140753 0.81 MTOR (0.52) MTORRPTORMLST8NAMPTDRD4
SCHEMBL20140439 0.81 MTOR (0.53) MTORRPTORMLST8DPP4DRD4
SCHEMBL20141582 0.81 MTOR (0.53) MTORRPTORMLST8DPP4DRD4

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