SCHEMBL20141464

SCHEMBL20141464

Cc1cc(C)c(N2CCN(c3ccccc3C#N)CC2)cc1C(=O)N1CCN(c2ccccc2C#N)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 5/20 0.56
RPTOR Q8N122 5/20 0.56
MLST8 Q9BVC4 5/20 0.56
NAMPT P43490 1/20 0.51
HTT P42858 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TSHR P16473 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GRM5 P41594 1/20 0.49
TACR3 P29371 1/20 0.48
DRD4 P21917 2/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
POLB P06746 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL20156949 0.90 MTOR (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140278 0.90 MTOR (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140607 0.89 MTOR (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140863 0.89 MTOR (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20139916 0.89 MTOR (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140952 0.88 NAMPT (0.54) MTORRPTORMLST8NAMPTHTT
SCHEMBL20139868 0.87 MTOR (0.52) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140833 0.86 MTOR (0.51) MTORRPTORMLST8NAMPTHTT
SCHEMBL20156950 0.85 MTOR (0.51) MTORRPTORMLST8NAMPTHTT
SCHEMBL20140200 0.85 MTOR (0.59) MTORRPTORMLST8NAMPTALDH1A1

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