SCHEMBL20156840

SCHEMBL20156840

Cc1cc(C)c(CC2(NC(=O)OC(C)(C)C)CCN(c3ccccc3C#N)CC2)cc1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 10/20 0.39
DRD4 P21917 4/20 0.37
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
HTR2A P28223 1/20 0.37
THPO P40225 1/20 0.37
HIF1A Q16665 1/20 0.37
NSD2 O96028 2/20 0.36
GMNN O75496 1/20 0.36
LMNA P02545 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
PPIA P62937 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
AR P10275 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
SCHEMBL20156839 0.92 RET (0.37) RETDRD4DRD2DRD3KDM4E
SCHEMBL20141996 0.88 DRD4 (0.46) RETDRD4DRD2DRD3KDM4E
SCHEMBL20156842 0.87 DRD4 (0.39) RETDRD4DRD2DRD3KDM4E
SCHEMBL20142054 0.85 MTOR (0.45) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157436 0.80 ALDH1A1 (0.42) RETDRD4ALDH1A1LMNA
SCHEMBL20157033 0.73 MTOR (0.47) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20157438 0.72 ALDH1A1 (0.41) RETDRD4ALDH1A1LMNA
SCHEMBL20156992 0.69 GRM1 (0.40) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20139868 0.69 MTOR (0.52) DRD4DRD2DRD3KDM4EALDH1A1
SCHEMBL20156841 0.68 DRD4 (0.51) DRD4DRD2DRD3KDM4EALDH1A1

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