SCHEMBL20140742

SCHEMBL20140742

Cc1cc(C)c(CC2(N=C=O)CCN(c3ccccc3C#N)CC2)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.44
DRD2 P14416 5/20 0.36
HTR2A P28223 5/20 0.36
HTR7 P34969 4/20 0.36
DRD3 P35462 3/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HTR1A P08908 7/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
GRM5 P41594 1/20 0.33

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
SCHEMBL20139961 0.83 DRD4 (0.45) DRD4DRD2HTR2AHTR7DRD3
SCHEMBL20156841 0.82 DRD4 (0.51) DRD4DRD2HTR2AHTR7DRD3
SCHEMBL20141633 0.81 DRD4 (0.46) DRD4DRD3ALDH1A1
SCHEMBL20141994 0.76 DRD4 (0.44) DRD4DRD2HTR2AHTR7DRD3
SCHEMBL20141996 0.76 DRD4 (0.46) DRD4DRD2HTR2ADRD3KDM4E
SCHEMBL20139927 0.74 DRD4 (0.53) DRD4DRD2HTR2AHTR7DRD3
SCHEMBL20139931 0.70 LMNA (0.43) DRD4DRD2DRD3ALDH1A1
SCHEMBL20141636 0.69 DRD4 (0.41) DRD4DRD2HTR2AHTR7DRD3
SCHEMBL20157436 0.69 ALDH1A1 (0.42) DRD4ALDH1A1
SCHEMBL20157438 0.69 ALDH1A1 (0.41) DRD4ALDH1A1

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