SCHEMBL20141996

SCHEMBL20141996

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 6/20 0.46
DRD3 P35462 3/20 0.38
RET P07949 7/20 0.38
DRD2 P14416 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR2A P28223 1/20 0.38
THPO P40225 1/20 0.38
HIF1A Q16665 1/20 0.38
PPIA P62937 1/20 0.38
NSD2 O96028 2/20 0.36
AR P10275 1/20 0.36
THRB P10828 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 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
SCHEMBL20156842 0.89 DRD4 (0.39) DRD4DRD3RETDRD2KDM4E
SCHEMBL20156840 0.88 RET (0.39) DRD4DRD3RETDRD2KDM4E
SCHEMBL20156839 0.87 RET (0.37) DRD4DRD3RETDRD2KDM4E
SCHEMBL20142054 0.86 MTOR (0.45) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20156841 0.80 DRD4 (0.51) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20141633 0.80 DRD4 (0.46) DRD4DRD3RETALDH1A1
SCHEMBL20141994 0.79 DRD4 (0.44) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139961 0.78 DRD4 (0.45) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20140742 0.76 DRD4 (0.44) DRD4DRD3DRD2KDM4EALDH1A1
SCHEMBL20139927 0.69 DRD4 (0.53) DRD4DRD3DRD2KDM4EALDH1A1

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