SCHEMBL20159109

SCHEMBL20159109

COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.50
RPTOR Q8N122 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
HTR7 P34969 2/20 0.45
PTGS2 P35354 2/20 0.45
PTGS1 P23219 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAPK1 P28482 1/20 0.44
CHRM4 P08173 1/20 0.43
HTT P42858 1/20 0.43
TP53 P04637 1/20 0.41

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
SCHEMBL20158902 0.93 MTOR (0.57) MTORRPTORMLST8HTR7
SCHEMBL20159021 0.91 CACNA1G (0.48) MTORRPTORMLST8HTR7
SCHEMBL20159115 0.87 MTOR (0.55) MTORRPTORMLST8HTR7PTGS2
SCHEMBL20158900 0.85 MTOR (0.56) MTORRPTORMLST8HTR7
SCHEMBL20159116 0.83 MTOR (0.45) MTORRPTORMLST8HTR7MAPK1
SCHEMBL20158901 0.82 MTOR (0.62) MTORRPTORMLST8HTR7TP53
SCHEMBL20159017 0.82 MTOR (0.58) MTORRPTORMLST8HTR7PTGS2
SCHEMBL20159022 0.82 MTOR (0.58) MTORRPTORMLST8HTR7
SCHEMBL20159018 0.81 MTOR (0.59) MTORRPTORMLST8HTR7PTGS2
SCHEMBL20158898 0.81 MTOR (0.55) MTORRPTORMLST8HTR7

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