SCHEMBL20139284

SCHEMBL20139284

COC(=O)c1cc(CN2CCN(c3ccccc3Cl)CC2)cn1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 7/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
USP2 O75604 1/20 0.51
KDM4E B2RXH2 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 2/20 0.48
NPY2R P49146 1/20 0.48
DRD4 P21917 2/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.46
ADORA2B P29275 1/20 0.46
HTR4 Q13639 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
POLB P06746 1/20 0.46
PLA2G1B P04054 1/20 0.46
RAB9A P51151 1/20 0.46
ATG4B Q9Y4P1 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
SCHEMBL20140477 0.87 HTR7 (0.58) HTR7ALDH1A1KDM4ENPY2RDRD4
SCHEMBL20159024 0.81 MTOR (0.64) HTR7MEN1KMT2ADRD2POLB
SCHEMBL20159036 0.79 MTOR (0.58) HTR7KDM4EDRD4DRD2DRD3
SCHEMBL20159115 0.78 MTOR (0.55) HTR7USP2LMNAMAPTPOLB
SCHEMBL20159119 0.77 HTR7 (0.54) HTR7ALDH1A1MEN1KMT2AKDM4E
SCHEMBL20159079 0.77 MTOR (0.52) HTR7LMNADRD2POLBMTOR
SCHEMBL20159144 0.77 KDM4E (0.50) HTR7ALDH1A1KDM4ELMNANPY2R
SCHEMBL20139324 0.76 MTOR (0.52) HTR7NPY2RMTORRPTORMLST8
SCHEMBL20139564 0.76 MTOR (0.52) HTR7NPY2RMTORRPTORMLST8
SCHEMBL20159286 0.76 MTOR (0.51) HTR7LMNAPOLBMTORRPTOR

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