SCHEMBL990890

SCHEMBL990890

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(F)c2)C1)c1ccoc1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.47
L3MBTL1 Q9Y468 1/20 0.38
CHRM5 P08912 1/20 0.38
HTR2B P41595 1/20 0.35

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
SCHEMBL990768 1.00 GRM5 (0.47) GRM5L3MBTL1CHRM5HTR2B
SCHEMBL991434 0.90 GRM5 (0.45) GRM5L3MBTL1
SCHEMBL990758 0.90 GRM5 (0.45) GRM5L3MBTL1
SCHEMBL990930 0.89 GRM5 (0.47) GRM5
SCHEMBL991428 0.89 GRM5 (0.47) GRM5
SCHEMBL990781 0.84 ALDH1A1 (0.48) GRM5L3MBTL1CHRM5
SCHEMBL990810 0.84 ALDH1A1 (0.48) GRM5L3MBTL1CHRM5
SCHEMBL4880266 0.83 GRM5 (0.53) GRM5CHRM5
SCHEMBL990772 0.83 GRM5 (0.60) GRM5L3MBTL1
SCHEMBL990045 0.82 GRM5 (0.54) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed
EP-2211859-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OF PARKINSON'S DISEASE Novartis AG (CH) 2010-08-04 EP disclosed
WO-2009047296-A2 METABOTROPIC GLUTAMATE RECEPTOR MODULATORS FOR THE TREATMENT OP PARKINSON'S DISEASE NOVARTIS AG (CH) 2009-04-16 WO disclosed