SCHEMBL20159093

SCHEMBL20159093

Cc1c(CN2CCN(c3ccccc3Cl)CC2)cc(C(=O)N2CCN(c3cc(F)ccc3C#N)CC2)n1C

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.68
RPTOR Q8N122 7/20 0.68
MLST8 Q9BVC4 7/20 0.68
TACR3 P29371 1/20 0.42
ALDH1A1 P00352 3/20 0.42
HTR7 P34969 1/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PLA2G1B P04054 1/20 0.40
ATG4B Q9Y4P1 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
SCD O00767 1/20 0.40
SCD5 Q86SK9 1/20 0.40

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
SCHEMBL20159090 0.92 MTOR (0.71) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20159216 0.91 MTOR (0.81) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20142656 0.88 MTOR (0.77) MTORRPTORMLST8TACR3DRD2
SCHEMBL20142657 0.88 MTOR (0.77) MTORRPTORMLST8TACR3DRD2
SCHEMBL20159082 0.87 MTOR (0.75) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20158988 0.87 MTOR (0.73) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20141504 0.87 MTOR (0.67) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20159217 0.86 MTOR (0.74) MTORRPTORMLST8TACR3ALDH1A1
SCHEMBL20140500 0.86 MTOR (0.67) MTORRPTORMLST8ALDH1A1HTR7
SCHEMBL20140071 0.85 MTOR (0.78) MTORRPTORMLST8ALDH1A1HTR7

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-2018089493-A1 PYRROLE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed