SCHEMBL20140824

SCHEMBL20140824

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN1CCN(c2ccccc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.67
RPTOR Q8N122 5/20 0.67
MLST8 Q9BVC4 5/20 0.67
HTR7 P34969 1/20 0.51
DRD4 P21917 6/20 0.46
DRD2 P14416 4/20 0.46
DRD3 P35462 3/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
USP2 O75604 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL20140235 1.00 MTOR (0.67) MTORRPTORMLST8HTR7DRD4
SCHEMBL20140200 0.95 MTOR (0.59) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140342 0.91 MTOR (0.56) MTORRPTORMLST8HTR7DRD4
SCHEMBL20156918 0.91 MTOR (0.55) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139962 0.91 MTOR (0.55) MTORRPTORMLST8DRD4DRD2
SCHEMBL20139928 0.90 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20156824 0.90 MTOR (0.56) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141543 0.90 MTOR (0.54) MTORRPTORMLST8DRD4DRD2
SCHEMBL20140439 0.89 MTOR (0.53) MTORRPTORMLST8DRD4DRD2
SCHEMBL20141582 0.89 MTOR (0.53) 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 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