SCHEMBL8129742

SCHEMBL8129742

O=C(O)C1CCc2cccc(F)c2N1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PTPN7 P35236 1/20 0.40
▸ MME P08473 11/20 0.38
▸ ACE P12821 6/20 0.37
▸ SMYD3 Q9H7B4 1/20 0.35
▸ DRD2 P14416 1/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ GRIK1 P39086 1/20 0.34
▸ GRIA2 P42262 1/20 0.34

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
SCHEMBL27768922 0.84 GAA (0.56) GAAMAPTPTPN7MMEACE
SCHEMBL5265048 0.81 GAA (0.41) GAAMAPTMMEACESMYD3
SCHEMBL8143867 0.78 CYP1A2 (0.39) GAAMAPTPTPN7MMEDRD2
SCHEMBL6195716 0.75 ALDH1A1 (0.46) GAAMAPTPTPN7MMEACE
SCHEMBL1531662 0.73 GAA (0.69) GAAMAPTMMEACESMYD3
SCHEMBL10841161 0.73 ALDH1A1 (0.39) DRD2DRD3
SCHEMBL1150614 0.73 GAA (0.69) GAAMAPTMMEACESMYD3
SCHEMBL444953 0.73 GAA (0.69) GAAMAPTMMEACESMYD3
SCHEMBL29831598 0.73 GAA (0.69) GAAMAPTMMEACESMYD3
SCHEMBL26613545 0.73 PRCP (0.38) DRD2DRD3

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-1000060-A1 NOVEL COMPOUNDS AstraZeneca UK Limited (GB) 2000-05-17 — — EP disclosed
WO-1999002528-A1 NOVEL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1999-01-21 — — WO disclosed
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