SCHEMBL20139263

SCHEMBL20139263

O=C(c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CC(F)(F)F)N1CCN(c2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.54
RPTOR Q8N122 2/20 0.54
MLST8 Q9BVC4 2/20 0.54
HTR7 P34969 3/20 0.49
HTR1A P08908 1/20 0.45
RBP4 P02753 1/20 0.45
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CACNA1G O43497 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
SIGMAR1 Q99720 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
Trifluoroacetic Acid SCHEMBL20140254 0.97 MTOR (0.52) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20159018 0.90 MTOR (0.59) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20139286 0.87 HTR7 (0.50) HTR7HTR1ARBP4DRD2DRD3
SCHEMBL20159017 0.87 MTOR (0.58) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20159022 0.84 MTOR (0.58) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20158902 0.84 MTOR (0.57) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20159024 0.84 MTOR (0.64) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20158900 0.82 MTOR (0.56) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20159109 0.79 MTOR (0.50) MTORRPTORMLST8HTR7PTGS1
SCHEMBL20159115 0.79 MTOR (0.55) MTORRPTORMLST8HTR7PTGS1

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