SCHEMBL20141538

SCHEMBL20141538

Cc1cccc(N2CCN(C(=O)c3cc(CN4CCC(c5ccccc5C#N)C4)ccc3C)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.41
MTOR P42345 2/20 0.40
RPTOR Q8N122 2/20 0.40
MLST8 Q9BVC4 2/20 0.40
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
PDE2A O00408 2/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
CLK1 P49759 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PROKR1 Q8TCW9 1/20 0.38
GBA1 P04062 7/20 0.38
TGM2 P21980 1/20 0.37

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
SCHEMBL20140777 0.96 DRD4 (0.43) DRD4MTORRPTORMLST8HCRTR1
SCHEMBL20156808 0.85 MTOR (0.38) DRD4MTORRPTORMLST8PDE2A
SCHEMBL20156963 0.83 GBA1 (0.45) MTORRPTORMLST8GBA1
SCHEMBL20140304 0.83 GBA1 (0.44) DRD4MTORRPTORMLST8ALDH1A1
SCHEMBL20139895 0.81 DRD4 (0.46) DRD4MTORRPTORMLST8ALDH1A1
SCHEMBL20157068 0.81 DRD4 (0.46) DRD4ALDH1A1KDM4EHTT
SCHEMBL20140897 0.81 MTOR (0.45) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20157066 0.80 MTOR (0.46) DRD4MTORRPTORMLST8ALDH1A1
SCHEMBL20157255 0.79 MTOR (0.40) MTORRPTORMLST8ALDH1A1KDM4E
SCHEMBL20140318 0.79 KDM5A (0.45) DRD4MTORRPTORMLST8HCRTR1

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