SCHEMBL20156986

SCHEMBL20156986

Cc1cc(C)c(C(=O)N2CC[C@H](Nc3ccccc3C#N)C2)cc1CN1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTOR P42345 12/20 0.53
RPTOR Q8N122 12/20 0.53
MLST8 Q9BVC4 12/20 0.53
DRD4 P21917 6/20 0.42
DRD2 P14416 4/20 0.42
DRD3 P35462 3/20 0.42
MLNR O43193 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
HTR2A P28223 1/20 0.41
THPO P40225 1/20 0.41
HIF1A Q16665 1/20 0.41

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
SCHEMBL20140123 1.00 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156799 1.00 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140266 0.94 MTOR (0.51) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140470 0.93 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20157228 0.93 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156920 0.93 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141637 0.90 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156985 0.88 MTOR (0.55) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140200 0.86 MTOR (0.59) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140057 0.83 MTOR (0.51) MTORRPTORMLST8DRD4DRD2

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