SCHEMBL20159008

SCHEMBL20159008

Cn1cc(CN2CCN(c3ccc(F)cc3Cl)CC2)cc1C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 2/20 0.51
HRH3 Q9Y5N1 2/20 0.48
MAPT P10636 1/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
POLB P06746 1/20 0.46
GRM5 P41594 1/20 0.46
MTOR P42345 1/20 0.45
RPTOR Q8N122 1/20 0.45
MLST8 Q9BVC4 1/20 0.45

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
SCHEMBL20159115 0.91 MTOR (0.55) HRH3MAPTPTGS1PTGS2POLB
SCHEMBL20159024 0.83 MTOR (0.64) HRH3POLBMTORRPTORMLST8
SCHEMBL20159286 0.82 MTOR (0.51) HRH3POLBMTORRPTORMLST8
SCHEMBL20159079 0.81 MTOR (0.52) HRH3POLBMTORRPTORMLST8
SCHEMBL20159066 0.81 MTOR (0.45) HRH3PTGS1PTGS2POLBMTOR
SCHEMBL20159006 0.81 CHRM4 (0.47) HRH3PTGS1PTGS2
SCHEMBL20159166 0.80 POLB (0.55) HRH3POLBMTORRPTORMLST8
SCHEMBL20159007 0.80 POLB (0.55) HRH3POLBMTORRPTORMLST8
SCHEMBL20159009 0.79 PTGS1 (0.46) HRH3PTGS1PTGS2POLBMTOR
SCHEMBL20159109 0.79 MTOR (0.50) PTGS1PTGS2MTORRPTORMLST8

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