SCHEMBL20140667

SCHEMBL20140667

Cc1cc(C)c(C(=O)O)cc1CN1CCN(c2ccccc2C#N)CC1=O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPC5 Q9UL62 8/20 0.42
DRD4 P21917 6/20 0.41
DRD2 P14416 4/20 0.41
DRD3 P35462 3/20 0.41
DPP4 P27487 1/20 0.40
HTR2A P28223 3/20 0.39
HTR1A P08908 2/20 0.39
MTOR P42345 1/20 0.39
RPTOR Q8N122 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
THPO P40225 1/20 0.39
HIF1A Q16665 1/20 0.39
BRD4 O60885 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
SCHEMBL20140513 0.89 DRD4 (0.41) TRPC5DRD4DRD2DRD3DPP4
SCHEMBL20140725 0.89 MTOR (0.47) TRPC5DRD4DRD2DRD3DPP4
SCHEMBL20140648 0.86 PRMT5 (0.42) TRPC5DRD4DRD2DRD3HTR2A
SCHEMBL20140126 0.84 MTOR (0.53) DRD4DRD2DRD3HTR2AHTR1A
Hydrochloric Acid SCHEMBL20140671 0.83 MTOR (0.52) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL20139967 0.82 NAMPT (0.48) TRPC5DRD4DRD2DRD3DPP4
SCHEMBL20141432 0.81 MTOR (0.50) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL20140103 0.80 MTOR (0.46) DRD4DRD2DRD3DPP4HTR1A
SCHEMBL20140941 0.79 GRM1 (0.46) DRD4DRD2DRD3HTR2AHTR1A
SCHEMBL20139998 0.79 DRD4 (0.40) DRD4DRD2DRD3HTR2AHTR1A

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