SCHEMBL20140727

SCHEMBL20140727

Cc1cc(C)c(C(=O)N2CCN(c3ncc(F)c(C)n3)CC2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTOR P42345 8/20 0.47
RPTOR Q8N122 8/20 0.47
MLST8 Q9BVC4 8/20 0.47
PARP1 P09874 1/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
CFTR P13569 1/20 0.41
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DPP4 P27487 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL20139989 0.90 MTOR (0.49) MTORRPTORMLST8PARP1LMNA
SCHEMBL20140472 0.89 PARP1 (0.46) MTORRPTORMLST8PARP1HCRTR1
SCHEMBL20140865 0.87 MTOR (0.48) MTORRPTORMLST8PARP1CFTR
SCHEMBL20140700 0.87 MTOR (0.48) MTORRPTORMLST8PARP1CFTR
SCHEMBL20141543 0.86 MTOR (0.54) MTORRPTORMLST8PARP1LMNA
SCHEMBL20140200 0.86 MTOR (0.59) MTORRPTORMLST8PARP1KDM4E
SCHEMBL20140158 0.86 MTOR (0.51) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140660 0.85 MTOR (0.48) MTORRPTORMLST8HCRTR1HCRTR2
SCHEMBL20140926 0.85 MTOR (0.54) MTORRPTORMLST8PARP1LMNA
SCHEMBL20141003 0.85 MTOR (0.54) MTORRPTORMLST8PARP1LMNA

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