SCHEMBL20140897

SCHEMBL20140897

Cc1cccc(N2CCN(C(=O)c3cc(CC4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.45
RPTOR Q8N122 8/20 0.45
MLST8 Q9BVC4 8/20 0.45
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTR2B P41595 1/20 0.43
MAPK14 Q16539 1/20 0.43
PHGDH O43175 1/20 0.41
MAPK1 P28482 1/20 0.41
PARP1 P09874 1/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CLK1 P49759 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ATM Q13315 1/20 0.39
GBA1 P04062 1/20 0.39

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
SCHEMBL20140950 0.89 MTOR (0.49) MTORRPTORMLST8PHGDHMAPK1
SCHEMBL20156963 0.85 GBA1 (0.45) MTORRPTORMLST8PHGDHPARP1
SCHEMBL20140304 0.85 GBA1 (0.44) MTORRPTORMLST8PHGDHPARP1
SCHEMBL20157255 0.82 MTOR (0.40) MTORRPTORMLST8PHGDHMAPK1
SCHEMBL20140777 0.81 DRD4 (0.43) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20141538 0.81 DRD4 (0.41) MTORRPTORMLST8KDM4EALDH1A1
SCHEMBL20140336 0.80 MAPT (0.47) MTORRPTORMLST8CYP2C9CYP2C19
SCHEMBL20157066 0.78 MTOR (0.46) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20141292 0.78 BDKRB1 (0.47) MTORRPTORMLST8CYP2C9CYP2C19
SCHEMBL20157539 0.77 MTOR (0.46) MTORRPTORMLST8PHGDHPARP1

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