SCHEMBL20140029

SCHEMBL20140029

Cc1cc(C)c(C(=O)N2CCN(c3ccccc3C#N)CC2)cc1CN(C(=O)CNc1ccccc1C#N)C(C)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.44
RPTOR Q8N122 5/20 0.44
MLST8 Q9BVC4 5/20 0.44
ALDH1A1 P00352 6/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
DRD4 P21917 4/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 2/20 0.39
CYP2D6 P10635 2/20 0.38
OPRK1 P41145 1/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KDM4E B2RXH2 4/20 0.37
NAMPT P43490 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL20140027 0.83 MTOR (0.44) MTORRPTORMLST8ALDH1A1POLB
SCHEMBL20140200 0.74 MTOR (0.59) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20141637 0.74 MTOR (0.54) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20140695 0.73 MTOR (0.51) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20156949 0.73 MTOR (0.54) MTORRPTORMLST8ALDH1A1POLB
SCHEMBL20140753 0.73 MTOR (0.52) MTORRPTORMLST8ALDH1A1DRD4
SCHEMBL20139899 0.73 MTOR (0.48) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20141464 0.73 MTOR (0.56) MTORRPTORMLST8ALDH1A1POLB
SCHEMBL20140235 0.72 MTOR (0.67) MTORRPTORMLST8ALDH1A1MAPT
SCHEMBL20140824 0.72 MTOR (0.67) MTORRPTORMLST8ALDH1A1MAPT

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