SCHEMBL20141994

SCHEMBL20141994

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.44
DRD2 P14416 4/20 0.36
DRD3 P35462 3/20 0.36
HTR2A P28223 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
FFAR4 Q5NUL3 2/20 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
THRB P10828 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
PMP22 Q01453 1/20 0.35
MTOR P42345 2/20 0.35
RPTOR Q8N122 2/20 0.35
MLST8 Q9BVC4 2/20 0.35
DPP4 P27487 1/20 0.35

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
SCHEMBL20142053 0.86 MTOR (0.43) DRD4DRD2DRD3ALDH1A1THRB
SCHEMBL20156841 0.82 DRD4 (0.51) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20141996 0.79 DRD4 (0.46) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20141633 0.78 DRD4 (0.46) DRD4DRD3ALDH1A1LMNA
SCHEMBL20139961 0.78 DRD4 (0.45) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20140742 0.76 DRD4 (0.44) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20141636 0.70 DRD4 (0.41) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20139927 0.69 DRD4 (0.53) DRD4DRD2DRD3HTR2AKDM4E
SCHEMBL20139931 0.69 LMNA (0.43) DRD4DRD2DRD3ALDH1A1LMNA
SCHEMBL20156842 0.69 DRD4 (0.39) 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