SCHEMBL31514938

SCHEMBL31514938

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ COMT P21964 4/20 0.55
▸ TSHR P16473 1/20 0.39
▸ HSP90AA1 P07900 5/20 0.38
▸ HSP90AB1 P08238 5/20 0.38
▸ HPGD P15428 4/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ GAA P10253 1/20 0.35
▸ FTO Q9C0B1 2/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ MC4R P32245 1/20 0.33
▸ LMNA P02545 1/20 0.33

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
SCHEMBL31514937 0.90 COMT (0.49) COMTTSHRHSP90AA1HSP90AB1HPGD
SCHEMBL31514936 0.88 COMT (0.70) COMTHSP90AA1HSP90AB1HPGDALDH1A1
SCHEMBL31514943 0.85 COMT (0.55) COMTTSHRHSP90AA1HSP90AB1HPGD
SCHEMBL31514932 0.85 COMT (0.55) COMTTSHRHSP90AA1HSP90AB1HPGD
SCHEMBL31514940 0.85 COMT (0.50) COMTTSHRHSP90AA1HSP90AB1HPGD
SCHEMBL31514939 0.85 COMT (0.50) COMTTSHRHSP90AA1HSP90AB1HPGD
SCHEMBL29642891 0.84 COMT (0.79) COMTHSP90AA1HSP90AB1HPGDCYP1A2
SCHEMBL18987105 0.84 COMT (0.79) COMTHSP90AA1HSP90AB1HPGDCYP1A2
SCHEMBL31514946 0.84 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1MC4R
SCHEMBL31514934 0.84 COMT (0.47) COMTTSHRHSP90AA1HSP90AB1MC4R

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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