SCHEMBL20139286

SCHEMBL20139286

O=C(O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1CC(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.50
DRD2 P14416 5/20 0.47
DRD4 P21917 5/20 0.47
DRD3 P35462 4/20 0.47
NPY2R P49146 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PLA2G1B P04054 1/20 0.44
RAB9A P51151 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
HTR1A P08908 1/20 0.44
RBP4 P02753 1/20 0.43
GRM5 P41594 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
SCHEMBL20139263 0.87 MTOR (0.54) HTR7DRD2DRD3HTR1ARBP4
Trifluoroacetic Acid SCHEMBL20140254 0.85 MTOR (0.52) HTR7DRD2DRD3HTR1ARBP4
SCHEMBL20140477 0.81 HTR7 (0.58) HTR7DRD2DRD4DRD3NPY2R
SCHEMBL20159018 0.76 MTOR (0.59) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL6864941 0.73 DRD4 (0.81) HTR7DRD2DRD4DRD3KDM4E
SCHEMBL20159017 0.73 MTOR (0.58) HTR7DRD2DRD4DRD3HTR1A
SCHEMBL20139284 0.72 HTR7 (0.52) HTR7DRD2DRD4DRD3NPY2R
SCHEMBL20159024 0.71 MTOR (0.64) HTR7DRD2HTR1ARBP4
SCHEMBL20159022 0.71 MTOR (0.58) HTR7DRD2DRD3KDM4EHTR1A
SCHEMBL20158902 0.70 MTOR (0.57) HTR7DRD2HTR1ARBP4GRM5

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