SCHEMBL20156963

SCHEMBL20156963

Cc1cccc(N2CCCN(C(=O)c3cc(CN4CCN(c5ccccc5C#N)CC4)ccc3C)CC2)n1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 6/20 0.45
MTOR P42345 3/20 0.44
RPTOR Q8N122 3/20 0.44
MLST8 Q9BVC4 3/20 0.44
PARP1 P09874 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PHGDH O43175 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
SCHEMBL20140304 0.98 GBA1 (0.44) GBA1MTORRPTORMLST8PARP1
SCHEMBL20141546 0.89 MTOR (0.47) GBA1MTORRPTORMLST8MEN1
SCHEMBL20140044 0.87 MTOR (0.54) MTORRPTORMLST8PARP1MEN1
SCHEMBL20140777 0.85 DRD4 (0.43) GBA1MTORRPTORMLST8MEN1
SCHEMBL20157539 0.85 MTOR (0.46) MTORRPTORMLST8PARP1MEN1
SCHEMBL20140693 0.85 HCRTR1 (0.49) GBA1MTORRPTORMLST8PARP1
SCHEMBL20157255 0.85 MTOR (0.40) GBA1MTORRPTORMLST8PARP1
SCHEMBL20141182 0.85 PARP1 (0.48) MTORRPTORMLST8PARP1
SCHEMBL20140897 0.85 MTOR (0.45) GBA1MTORRPTORMLST8PARP1
SCHEMBL20156930 0.84 MTOR (0.46) MTORRPTORMLST8PARP1

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