SCHEMBL20139913

SCHEMBL20139913

Cc1nc(C)c(N2CCN(c3ccccc3C#N)CC2)cc1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 7/20 0.47
PHGDH O43175 1/20 0.46
KDM4E B2RXH2 2/20 0.43
DRD3 P35462 3/20 0.41
DRD2 P14416 3/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41
AR P10275 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
NPC1 O15118 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL20140652 0.81 PHGDH (0.45) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL20140691 0.81 PHGDH (0.45) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL20140843 0.80 MTOR (0.44) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL20141423 0.80 DRD4 (0.40) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL20139817 0.79 RXFP1 (0.52) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL20140073 0.77 TACR3 (0.49) PHGDHKDM4EALDH1A1ARRXFP1
SCHEMBL3088832 0.76 DRD4 (0.54) DRD4PHGDHKDM4EDRD3DRD2
SCHEMBL5528207 0.74 NCF1 (0.66) PHGDHKDM4E
SCHEMBL2077261 0.72 ADRA2C (0.56) DRD4DRD3DRD2HTR2AAR
SCHEMBL20140347 0.71 DRD4 (0.50) DRD4PHGDHKDM4EDRD3DRD2

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