SCHEMBL20140477

SCHEMBL20140477

Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.58
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
HTR1A P08908 2/20 0.51
NPY2R P49146 1/20 0.51
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
PLA2G1B P04054 1/20 0.49
RAB9A P51151 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
RBP4 P02753 1/20 0.47
ATM Q13315 1/20 0.46
ADRA1D P25100 1/20 0.46
ADRA1A P35348 1/20 0.46
ADRA1B P35368 1/20 0.46
GRM5 P41594 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
SCHEMBL20139284 0.87 HTR7 (0.52) HTR7DRD2DRD4DRD3NPY2R
SCHEMBL20159024 0.86 MTOR (0.64) HTR7DRD2HTR1AMTORRPTOR
SCHEMBL20159165 0.83 MTOR (0.51) HTR7DRD2HTR1AALDH1A1MTOR
SCHEMBL20159036 0.81 MTOR (0.58) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL20139322 0.81 MTOR (0.52) HTR7NPY2RMTORRPTORMLST8
SCHEMBL20139564 0.81 MTOR (0.52) HTR7NPY2RMTORRPTORMLST8
SCHEMBL20139324 0.81 MTOR (0.52) HTR7NPY2RMTORRPTORMLST8
SCHEMBL20139286 0.81 HTR7 (0.50) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL20159115 0.81 MTOR (0.55) HTR7MTORRPTORMLST8
SCHEMBL20159079 0.80 MTOR (0.52) HTR7DRD2MTORRPTORMLST8

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