SCHEMBL20159115

SCHEMBL20159115

Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.55
RPTOR Q8N122 1/20 0.55
MLST8 Q9BVC4 1/20 0.55
HTR7 P34969 1/20 0.50
PTGS1 P23219 1/20 0.49
PTGS2 P35354 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL20159024 0.92 MTOR (0.64) MTORRPTORMLST8HTR7HRH3
SCHEMBL20159008 0.91 NPY2R (0.51) MTORRPTORMLST8PTGS1PTGS2
SCHEMBL20159286 0.91 MTOR (0.51) MTORRPTORMLST8HTR7HRH3
SCHEMBL20159079 0.90 MTOR (0.52) MTORRPTORMLST8HTR7HRH3
SCHEMBL20159066 0.89 MTOR (0.45) MTORRPTORMLST8HTR7PTGS1
SCHEMBL20159009 0.87 PTGS1 (0.46) MTORRPTORMLST8PTGS1PTGS2
SCHEMBL20159109 0.87 MTOR (0.50) MTORRPTORMLST8HTR7PTGS1
SCHEMBL20159166 0.85 POLB (0.55) MTORRPTORMLST8HTR7HRH3
SCHEMBL20159007 0.85 POLB (0.55) MTORRPTORMLST8HTR7HRH3
SCHEMBL20159006 0.85 CHRM4 (0.47) PTGS1PTGS2HRH3

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