SCHEMBL20158902

SCHEMBL20158902

COCCn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.57
RPTOR Q8N122 2/20 0.57
MLST8 Q9BVC4 2/20 0.57
HTR7 P34969 5/20 0.50
RBP4 P02753 1/20 0.46
CACNA1G O43497 2/20 0.44
HTR1A P08908 1/20 0.43
GRM5 P41594 1/20 0.42
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL20159109 0.93 MTOR (0.50) MTORRPTORMLST8HTR7
SCHEMBL20158900 0.91 MTOR (0.56) MTORRPTORMLST8HTR7RBP4
SCHEMBL20159021 0.90 CACNA1G (0.48) MTORRPTORMLST8HTR7CACNA1G
SCHEMBL20159017 0.89 MTOR (0.58) MTORRPTORMLST8HTR7RBP4
SCHEMBL20158901 0.89 MTOR (0.62) MTORRPTORMLST8HTR7HTR1A
SCHEMBL20159022 0.88 MTOR (0.58) MTORRPTORMLST8HTR7RBP4
SCHEMBL20159116 0.88 MTOR (0.45) MTORRPTORMLST8HTR7LMNA
SCHEMBL20159018 0.88 MTOR (0.59) MTORRPTORMLST8HTR7RBP4
SCHEMBL20159024 0.86 MTOR (0.64) MTORRPTORMLST8HTR7RBP4
SCHEMBL20139263 0.84 MTOR (0.54) MTORRPTORMLST8HTR7RBP4

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