SCHEMBL20140202

SCHEMBL20140202

Cc1ccc(CN2CCN(c3ccccc3Cl)CC2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.55
KDM4E B2RXH2 3/20 0.54
ALDH1A1 P00352 3/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ATM Q13315 1/20 0.54
DRD2 P14416 2/20 0.52
DRD4 P21917 2/20 0.52
DRD3 P35462 2/20 0.52
PLA2G1B P04054 1/20 0.49
RAB9A P51151 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49
NPY2R P49146 1/20 0.48
HTR1A P08908 1/20 0.48

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
SCHEMBL20139955 0.85 KDM4E (0.52) HTR7KDM4EALDH1A1NPSR1ATM
SCHEMBL20140098 0.83 ALDH1A1 (0.56) HTR7KDM4EALDH1A1ATMDRD2
SCHEMBL20140640 0.81 KDM4E (0.56) HTR7KDM4EALDH1A1NPSR1ATM
SCHEMBL20156931 0.81 MTOR (0.51) HTR7KDM4EALDH1A1NPSR1DRD2
SCHEMBL20142392 0.81 P2RX7 (0.51) HTR7ATM
SCHEMBL20140759 0.79 KDM4E (0.56) HTR7KDM4EALDH1A1ATMDRD2
SCHEMBL3243301 0.79 LMNA (0.60) KDM4EALDH1A1NPSR1ATMDRD2
SCHEMBL20141481 0.77 KDM4E (0.51) HTR7KDM4EALDH1A1NPSR1ATM
SCHEMBL6864941 0.77 DRD4 (0.81) HTR7KDM4EALDH1A1DRD2DRD4
SCHEMBL4527775 0.76 DRD4 (0.57) HTR7ALDH1A1NPSR1ATMDRD2

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