SCHEMBL31514935

SCHEMBL31514935

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 2/20 0.48
▸ CNR1 P21554 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HSP90AA1 P07900 3/20 0.33
▸ HSP90AB1 P08238 3/20 0.33
▸ GAA P10253 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ FTO Q9C0B1 1/20 0.31
▸ FOLH1 Q04609 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
SCHEMBL31514946 0.84 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1PRMT5
SCHEMBL31514934 0.84 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1PRMT5
SCHEMBL31514938 0.82 COMT (0.55) COMTTSHRHPGDALDH1A1HSP90AA1
SCHEMBL31514936 0.81 COMT (0.70) COMTHPGDALDH1A1HSP90AA1HSP90AB1
SCHEMBL31514939 0.80 COMT (0.50) COMTTSHRHPGDALDH1A1HSP90AA1
SCHEMBL31514940 0.80 COMT (0.50) COMTTSHRHPGDALDH1A1HSP90AA1
SCHEMBL31514933 0.79 COMT (0.42) COMTHSP90AA1HSP90AB1PRMT5WDR77
SCHEMBL31514937 0.79 COMT (0.49) COMTTSHRHPGDALDH1A1HSP90AA1
SCHEMBL31514943 0.78 COMT (0.55) COMTTSHRHPGDALDH1A1HSP90AA1
SCHEMBL31514932 0.78 COMT (0.55) COMTTSHRHPGDALDH1A1HSP90AA1

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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