SCHEMBL20157033

SCHEMBL20157033

Cc1cc(C)c(CN2CCN(c3ccccc3C#N)CC2)cc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
DRD4 P21917 8/20 0.47
DRD2 P14416 5/20 0.47
DRD3 P35462 4/20 0.47
HTR2A P28223 3/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR7 P34969 4/20 0.43
GMNN O75496 1/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR1A P08908 3/20 0.43

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
SCHEMBL20157090 0.89 DRD4 (0.47) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140731 0.88 DRD4 (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156863 0.87 DRD4 (0.53) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157177 0.82 DPP4 (0.48) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140126 0.81 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
Hydrochloric Acid SCHEMBL20140671 0.80 MTOR (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140839 0.79 POLB (0.46) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140200 0.79 MTOR (0.59) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157267 0.78 DRD4 (0.52) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157478 0.78 DRD4 (0.45) MTORRPTORMLST8DRD4DRD2

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