SCHEMBL31069033

SCHEMBL31069033

CCOC(=O)C1=C(CC)NC2=C(C(=O)OC2)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
KDM4E B2RXH2 2/20 0.61
ADORA3 P0DMS8 2/20 0.53
MEN1 O00255 4/20 0.48
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CACNA1D Q01668 5/20 0.46
CACNA1F O60840 4/20 0.45
CACNA1S Q13698 4/20 0.45
CACNA1C Q13936 4/20 0.45
MAPK1 P28482 2/20 0.44
LNPEP Q9UIQ6 1/20 0.44
ACHE P22303 1/20 0.43
HIF1A Q16665 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43

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
SCHEMBL31069045 0.90 CACNA1F (0.60) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069039 0.90 CACNA1F (0.60) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069037 0.86 ALDH1A1 (0.51) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069044 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069035 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069043 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL10725299 0.80 KDM4E (0.71) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL7099811 0.77 ABCC9 (0.53) ALDH1A1KDM4EMAPTLMNACACNA1C
SCHEMBL31069034 0.77 CACNA1C (0.55) ALDH1A1KDM4EADORA3MEN1MAPT
SCHEMBL31069042 0.77 CACNA1C (0.55) ALDH1A1KDM4EADORA3MEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4649083-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS Universidad de Chile (CL) 2025-11-19 EP claimed
WO-2024150029-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS UNIVERSIDAD DE CHILE (CL) 2024-07-18 WO claimed
EP-4649083-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS Universidad de Chile (CL) 2025-11-19 EP disclosed
WO-2024150029-A1 COMPOUNDS DERIVED FROM DIHYDROPIRIDINES, PHARMACEUTICAL COMPOSITIONS COMPRISING SAID COMPOUNDS AND METHOD OF TREATMENT OF MUSCLE DISORDERS COMPRISING ADMINISTRATION OF SAID COMPOSITIONS UNIVERSIDAD DE CHILE (CL) 2024-07-18 WO disclosed