SCHEMBL20139967

SCHEMBL20139967

Cc1ccc(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ccccc2C#N)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
MTOR P42345 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
TP53 P04637 1/20 0.44
DRD2 P14416 2/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
ALDH1A1 P00352 3/20 0.43
TRPC5 Q9UL62 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MYC P01106 2/20 0.43
HSP90AA1 P07900 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GFER P55789 1/20 0.42
DPP4 P27487 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL20140725 0.89 MTOR (0.47) NAMPTMTORRPTORMLST8DRD2
SCHEMBL20139856 0.84 NAMPT (0.52) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20141360 0.83 NAMPT (0.51) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20140096 0.83 PARP1 (0.45) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20140667 0.82 TRPC5 (0.42) MTORRPTORMLST8DRD2DRD4
SCHEMBL20140604 0.81 NAMPT (0.49) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20140103 0.80 MTOR (0.46) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20140513 0.79 DRD4 (0.41) DRD2DRD4DRD3ALDH1A1TRPC5
SCHEMBL20140952 0.78 NAMPT (0.54) NAMPTMTORRPTORMLST8SMN1; SMN2
SCHEMBL20156995 0.78 TRPC5 (0.46) MTORRPTORMLST8DRD2DRD4

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