SCHEMBL5704696

SCHEMBL5704696

CC(C)C[C@@](N)(C(=O)O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
GRM3 Q14832 1/20 0.41
SLC7A5 Q01650 1/20 0.32
ARG1 P05089 1/20 0.31
ARG2 P78540 1/20 0.31
ODC1 P11926 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL188179 1.00 GRM2 (0.41) GRM2GRM3SLC7A5ARG1ARG2
SCHEMBL188178 1.00 GRM2 (0.41) GRM2GRM3SLC7A5ARG1ARG2
SCHEMBL4314004 0.77 GRM2 (0.43) GRM2GRM3SLC7A5ARG1ARG2
SCHEMBL1629778 0.75 MEN1 (0.40) GRM2GRM3ARG1ARG2ODC1
SCHEMBL11208132 0.74 GABRP (0.42) ARG1ARG2ODC1
SCHEMBL10021004 0.72 GRM2 (0.37) GRM2GRM3SLC7A5CYP2D6
SCHEMBL21821202 0.72 GRM2 (0.46) GRM2GRM3SLC7A5ARG1ARG2
SCHEMBL497762 0.72 GRM2 (0.46) GRM2GRM3SLC7A5ARG1ARG2
SCHEMBL21199502 0.71 MEN1 (0.38) ARG1ARG2ODC1CYP1A2
SCHEMBL5704692 0.71 MEN1 (0.38) ARG1ARG2ODC1CYP1A2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US claimed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP claimed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO claimed
EP-1303258-B1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2006-10-11 EP disclosed
US-20030194378-A1 Novel aerosol formulation containing a polar fluorinated molecule ASTRAZENECA AB (SE) 2003-10-16 US disclosed
EP-1303258-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE AstraZeneca AB (SE) 2003-04-23 EP disclosed
WO-2002003958-A1 NOVEL AEROSOL FORMULATION CONTAINING A POLAR FLUORINATED MOLECULE ASTRAZENECA AB (SE) 2002-01-17 WO disclosed