SCHEMBL4554753

SCHEMBL4554753

[CH2]C(CCC)c1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
SLC6A2 P23975 1/20 0.35
MAPK8 P45983 5/20 0.35
MAPK9 P45984 4/20 0.35
MAPK10 P53779 3/20 0.35
PIM1 P11309 2/20 0.34
MAP4K4 O95819 1/20 0.34
CSF1R P07333 1/20 0.34
CLK2 P49760 1/20 0.34
MAP4K2 Q12851 1/20 0.34
MINK1 Q8N4C8 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
MAP4K5 Q9Y4K4 1/20 0.34
PHGDH O43175 3/20 0.32
MCHR1 Q99705 1/20 0.32
CRHR1 P34998 4/20 0.32
RET P07949 1/20 0.31
PDGFRB P09619 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL4553945 0.84 NPY5R (0.34) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL27772671 0.84 MAPK8 (0.36) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4554704 0.83 IRAK4 (0.33)
SCHEMBL4553736 0.82 HTR2A (0.34) HTR2AHTR2CSLC6A2CRHR1
SCHEMBL4554134 0.81 PHGDH (0.34) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4554326 0.78 MAPK8 (0.36) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4554327 0.77 MAPK8 (0.38) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4553497 0.77 MAPK8 (0.38) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4553742 0.75 MAPK8 (0.37) HTR2AHTR2CSLC6A2MAPK8MAPK9
SCHEMBL4554132 0.75 MAPK8 (0.37) HTR2AHTR2CSLC6A2MAPK8MAPK9

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
EP-2118066-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA Takeda Pharmaceutical Company Limited (JP) 2009-11-18 EP disclosed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO disclosed