SCHEMBL20141360

SCHEMBL20141360

Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.51
ALDH1A1 P00352 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HSP90AA1 P07900 1/20 0.50
GAA P10253 1/20 0.50
DRD2 P14416 4/20 0.48
DRD4 P21917 4/20 0.48
DRD3 P35462 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
HTR2A P28223 1/20 0.48
THPO P40225 1/20 0.48
HIF1A Q16665 1/20 0.48
TSHR P16473 2/20 0.48
MTOR P42345 2/20 0.48
RPTOR Q8N122 2/20 0.48
MLST8 Q9BVC4 2/20 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
SCHEMBL20139856 0.92 NAMPT (0.52) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20140952 0.84 NAMPT (0.54) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20139967 0.83 NAMPT (0.48) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20141103 0.82 MYC (0.57) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20141157 0.80 TSHR (0.62) NAMPTALDH1A1SMN1; SMN2TSHRMTOR
SCHEMBL20139958 0.80 NAMPT (0.53) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20140063 0.80 TSHR (0.62) NAMPTALDH1A1SMN1; SMN2TSHRMTOR
SCHEMBL20140833 0.78 MTOR (0.51) NAMPTALDH1A1L3MBTL1SMN1; SMN2HSP90AA1
SCHEMBL20141464 0.77 MTOR (0.56) NAMPTALDH1A1L3MBTL1SMN1; SMN2DRD2
SCHEMBL20140902 0.76 HTR7 (0.48) ALDH1A1DRD2DRD4DRD3KDM4E

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