SCHEMBL4553945

SCHEMBL4553945

[CH2]C(CC1CC1)c1c(C)nn(C)c1-n1ccc2cc(Cl)ccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
MAPK8 P45983 2/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
CRHR1 P34998 5/20 0.31
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31
MCHR1 Q99705 1/20 0.31
PHGDH O43175 1/20 0.31
RET P07949 1/20 0.30
PDGFRB P09619 1/20 0.30
PIM1 P11309 1/20 0.30
CDK2 P24941 1/20 0.30
CDK9 P50750 1/20 0.30
MAP2K1 Q02750 1/20 0.30
MST1R Q04912 1/20 0.30
TYRO3 Q06418 1/20 0.30
NTRK3 Q16288 1/20 0.30

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
SCHEMBL4554753 0.84 HTR2A (0.35) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL27772671 0.82 MAPK8 (0.36) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4554653 0.77 NPY5R (0.38) NPY5RFPR2PROKR1PHGDHPIM1
SCHEMBL4554326 0.75 MAPK8 (0.36) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4554327 0.75 MAPK8 (0.38) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4553497 0.74 MAPK8 (0.38) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4553742 0.73 MAPK8 (0.37) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL4554134 0.73 PHGDH (0.34) HTR2AHTR2CMAPK8MAPK9MAPK10
SCHEMBL964783 0.73 HTR2A (0.35) NPY5RHTR2AHTR2CMAPK8MAPK9
SCHEMBL965282 0.72 HTR2A (0.39) HTR2AHTR2CMAPK8MAPK9MAPK10

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 4 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 claimed
WO-2008099794-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-21 WO claimed
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