SCHEMBL20139971

SCHEMBL20139971

Cc1cc(C)c(C(=O)O)cc1CCN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 8/20 0.50
DRD2 P14416 5/20 0.50
DRD3 P35462 5/20 0.50
HTR2A P28223 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
MTOR P42345 1/20 0.47
RPTOR Q8N122 1/20 0.47
MLST8 Q9BVC4 1/20 0.47
HTR1A P08908 3/20 0.47
GMNN O75496 1/20 0.46
LMNA P02545 1/20 0.46
THRB P10828 1/20 0.46
PMP22 Q01453 1/20 0.46
HTR7 P34969 2/20 0.45

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
SCHEMBL20140753 0.90 MTOR (0.52) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20140126 0.89 MTOR (0.53) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20140542 0.89 DRD4 (0.50) DRD4DRD2DRD3HTR2AKDM4E
Hydrochloric Acid SCHEMBL20140671 0.88 MTOR (0.52) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20141432 0.85 MTOR (0.50) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20157088 0.83 MTOR (0.49) DRD4DRD2DRD3HTR2AALDH1A1
SCHEMBL20157117 0.82 DRD3 (0.50) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20139927 0.82 DRD4 (0.53) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20140782 0.81 CHRM4 (0.44) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20140342 0.80 MTOR (0.56) DRD4DRD2DRD3HTR2AKDM4E

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