SCHEMBL990810

SCHEMBL990810

O=C(N[C@H]1CCC[C@@](O)(C#Cc2cccc(F)c2)C1)c1ccco1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
HPGD P15428 1/20 0.48
GRM5 P41594 6/20 0.46
GAA P10253 1/20 0.41
CHRM5 P08912 1/20 0.38
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
SCN3A Q9NY46 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL990781 1.00 ALDH1A1 (0.48) ALDH1A1HPGDGRM5GAACHRM5
SCHEMBL990808 0.90 ALDH1A1 (0.49) ALDH1A1HPGDGRM5KMT2AL3MBTL1
SCHEMBL990107 0.90 ALDH1A1 (0.49) ALDH1A1HPGDGRM5KMT2AL3MBTL1
SCHEMBL990050 0.89 ALDH1A1 (0.48) ALDH1A1HPGDGRM5KMT2AL3MBTL1
SCHEMBL991105 0.89 ALDH1A1 (0.48) ALDH1A1HPGDGRM5KMT2AL3MBTL1
SCHEMBL990890 0.84 GRM5 (0.47) GRM5CHRM5L3MBTL1
SCHEMBL990768 0.84 GRM5 (0.47) GRM5CHRM5L3MBTL1
SCHEMBL4880266 0.84 GRM5 (0.53) GRM5GAACHRM5KMT2AMEN1
SCHEMBL990045 0.83 GRM5 (0.54) ALDH1A1GRM5
SCHEMBL4507971 0.81 GRM5 (0.44) ALDH1A1HPGDGRM5KMT2AL3MBTL1

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 1 patent. 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