SCHEMBL31514932

SCHEMBL31514932

CCN(CCCOC(C)=O)C(=O)c1ccc2c([N+](=O)[O-])c(O)c(O)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 4/20 0.55
▸ TSHR P16473 1/20 0.37
▸ HPGD P15428 3/20 0.37
▸ HSP90AA1 P07900 5/20 0.36
▸ HSP90AB1 P08238 5/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.34
▸ ESR1 P03372 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRD1 P41143 1/20 0.32
▸ FTO Q9C0B1 1/20 0.32

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
SCHEMBL31514943 1.00 COMT (0.55) COMTTSHRHPGDHSP90AA1HSP90AB1
SCHEMBL31514942 0.86 COMT (0.76) COMTHPGDHSP90AA1HSP90AB1CYP1A2
SCHEMBL18987016 0.86 COMT (0.76) COMTHPGDHSP90AA1HSP90AB1CYP1A2
SCHEMBL31514936 0.85 COMT (0.70) COMTHPGDHSP90AA1HSP90AB1CYP1A2
SCHEMBL31514938 0.85 COMT (0.55) COMTTSHRHPGDHSP90AA1HSP90AB1
SCHEMBL31514939 0.80 COMT (0.50) COMTTSHRHPGDHSP90AA1HSP90AB1
SCHEMBL31514940 0.80 COMT (0.50) COMTTSHRHPGDHSP90AA1HSP90AB1
SCHEMBL31514937 0.80 COMT (0.49) COMTTSHRHPGDHSP90AA1HSP90AB1
SCHEMBL31514934 0.79 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1TDP1
SCHEMBL31514946 0.79 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1TDP1

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-3390351-B1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE KOESTER HUBERT (DE) 2025-02-26 — — EP claimed
EP-3390351-B1 NOVEL BICYCLIC-COMPOUNDS FOR USE AS A MEDICAMENT, IN PARTICULAR FOR TREATMENT OF PARKINSON'S DISEASE KOESTER HUBERT (DE) 2025-02-26 — — EP disclosed
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