SCHEMBL20141541

SCHEMBL20141541

Cc1cc2c(cc1C(=O)N1CCN(c3ccccc3C#N)CC1)c(N1CCN(c3ccccc3C#N)CC1)cn2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.48
RPTOR Q8N122 4/20 0.48
MLST8 Q9BVC4 4/20 0.48
NAMPT P43490 1/20 0.45
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.43
ALOX15 P16050 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPK1 P28482 1/20 0.43
TACR3 P29371 1/20 0.43
GRM5 P41594 1/20 0.43
HTR1A P08908 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL20141464 0.82 MTOR (0.56) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20140952 0.80 NAMPT (0.54) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140278 0.80 MTOR (0.54) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20156949 0.80 MTOR (0.54) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20140607 0.79 MTOR (0.54) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20140863 0.79 MTOR (0.54) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20139916 0.79 MTOR (0.54) MTORRPTORMLST8NAMPTMAPT
SCHEMBL20141682 0.79 AVPR1A (0.49) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20140833 0.78 MTOR (0.51) MTORRPTORMLST8NAMPTALDH1A1
SCHEMBL20156950 0.78 MTOR (0.51) MTORRPTORMLST8NAMPTMAPT

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