SCHEMBL20149880

SCHEMBL20149880

Cc1cc(C)c(C(=O)NC2CCN(c3ccccc3C)CC2)cc1NC1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.62
RPTOR Q8N122 7/20 0.62
MLST8 Q9BVC4 7/20 0.62
DRD2 P14416 3/20 0.42
DRD3 P35462 3/20 0.42
DRD4 P21917 2/20 0.42
NPY5R Q15761 1/20 0.41
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTR2A P28223 1/20 0.40
THPO P40225 1/20 0.40
HIF1A Q16665 1/20 0.40
PAK1 Q13153 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
SCHEMBL20133681 0.97 MTOR (0.65) MTORRPTORMLST8DRD2DRD3
SCHEMBL20150218 0.89 MTOR (0.74) MTORRPTORMLST8DRD2DRD3
SCHEMBL20129637 0.87 MTOR (0.64) MTORRPTORMLST8DRD2DRD3
SCHEMBL20129666 0.85 MTOR (0.62) MTORRPTORMLST8DRD2DRD3
SCHEMBL20133739 0.85 MTOR (0.78) MTORRPTORMLST8DRD2DRD3
SCHEMBL22693146 0.82 MTOR (0.73) MTORRPTORMLST8DRD2DRD3
SCHEMBL20133858 0.81 MTOR (0.58) MTORRPTORMLST8DRD2DRD3
SCHEMBL20149902 0.81 MTOR (0.72) MTORRPTORMLST8DRD2DRD3
SCHEMBL21360385 0.81 MTOR (0.72) MTORRPTORMLST8DRD2DRD3
SCHEMBL20150031 0.81 MTOR (0.70) MTORRPTORMLST8

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-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed