SCHEMBL20159119

SCHEMBL20159119

Cn1cc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.54
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.53
HSD17B10 Q99714 3/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
DRD2 P14416 1/20 0.51
HTR2A P28223 1/20 0.51
GAA P10253 1/20 0.50
MTOR P42345 1/20 0.48
RPTOR Q8N122 1/20 0.48
MLST8 Q9BVC4 1/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
RBP4 P02753 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 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 0.85 MTOR (0.64) HTR7DRD2HTR2AMTORRPTOR
SCHEMBL20159036 0.83 MTOR (0.58) HTR7KDM4EDRD2HTR2AMTOR
SCHEMBL20159115 0.82 MTOR (0.55) HTR7SMN1; SMN2MTORRPTORMLST8
SCHEMBL20159079 0.81 MTOR (0.52) HTR7DRD2HTR2AMTORRPTOR
SCHEMBL20159286 0.81 MTOR (0.51) HTR7MTORRPTORMLST8HRH3
SCHEMBL20139225 0.81 MTOR (0.50) HTR7DRD2HTR2AMTORRPTOR
SCHEMBL20140477 0.80 HTR7 (0.58) HTR7KDM4EALDH1A1DRD2MTOR
SCHEMBL20158999 0.79 HTR7 (0.47) HTR7ALDH1A1DRD2HTR2AGAA
SCHEMBL20139747 0.79 MTOR (0.60) HTR7ALDH1A1DRD2MTORRPTOR
Trifluoroacetic Acid SCHEMBL20139757 0.77 MTOR (0.50) HTR7DRD2HTR2AMTORRPTOR

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