SCHEMBL20142392

SCHEMBL20142392

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)N1CCN(c2ccccc2)C(=O)C1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.51
HTR7 P34969 1/20 0.48
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
ATM Q13315 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
SCHEMBL20140202 0.81 HTR7 (0.55) HTR7ATM
SCHEMBL20156931 0.80 MTOR (0.51) HTR7PARP1MTORRPTORMLST8
SCHEMBL20142823 0.78 CYP46A1 (0.48) HTR7MTORRPTORMLST8
SCHEMBL20157295 0.76 MTOR (0.47) P2RX7HTR7PARP1ATMMTOR
SCHEMBL20140957 0.76 GBA1 (0.44) HTR7PARP1
SCHEMBL20142241 0.75 MTOR (0.61) HTR7MTORRPTORMLST8
SCHEMBL20139930 0.75 MTOR (0.53) HTR7MTORRPTORMLST8
SCHEMBL20140044 0.75 MTOR (0.54) HTR7PARP1MTORRPTORMLST8
SCHEMBL20140664 0.72 MTOR (0.57) HTR7PARP1MTORRPTORMLST8
SCHEMBL20156911 0.72 KDM4E (0.55) ATM

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed