SCHEMBL20139856

SCHEMBL20139856

Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.52
ALDH1A1 P00352 4/20 0.49
DRD4 P21917 4/20 0.49
DRD2 P14416 3/20 0.49
DRD3 P35462 2/20 0.49
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HTR2A P28223 1/20 0.49
THPO P40225 1/20 0.49
HIF1A Q16665 1/20 0.49
TSHR P16473 1/20 0.49
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HSP90AA1 P07900 1/20 0.48
GAA P10253 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL20141360 0.92 NAMPT (0.51) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20140952 0.85 NAMPT (0.54) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20139967 0.84 NAMPT (0.48) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20141103 0.83 MYC (0.57) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20140063 0.81 TSHR (0.62) NAMPTALDH1A1TSHRMTORRPTOR
SCHEMBL20139958 0.81 NAMPT (0.53) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20141157 0.81 TSHR (0.62) NAMPTALDH1A1TSHRMTORRPTOR
SCHEMBL20140833 0.79 MTOR (0.51) NAMPTALDH1A1DRD4DRD2DRD3
SCHEMBL20141745 0.78 DRD4 (0.49) ALDH1A1DRD4DRD2DRD3KDM4E
SCHEMBL20141464 0.78 MTOR (0.56) NAMPTALDH1A1DRD4DRD2DRD3

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