SCHEMBL31069040

SCHEMBL31069040

CCCOC(=O)C1=C(CCC)NC2=C(C(=O)OC2)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
CACNA1C Q13936 5/20 0.41
CACNA1D Q01668 5/20 0.41
LMNA P02545 4/20 0.41
ADORA3 P0DMS8 3/20 0.41
CACNA1F O60840 3/20 0.41
CACNA1S Q13698 3/20 0.41
ABCC4 O15439 2/20 0.41
ABCB11 O95342 2/20 0.41
CYP1A2 P05177 2/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
OPRM1 P35372 2/20 0.41
SCN1A P35498 2/20 0.41
HTR2B P41595 2/20 0.41
KCNH2 Q12809 2/20 0.41
SCN5A Q14524 2/20 0.41
SCN2A Q99250 2/20 0.41
SCN3A Q9NY46 2/20 0.41

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
SCHEMBL31069041 1.00 ALDH1A1 (0.46) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069035 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069044 0.86 ALDH1A1 (0.55) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069037 0.85 ALDH1A1 (0.51) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069042 0.82 CACNA1C (0.55) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069034 0.82 CACNA1C (0.55) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL7374220 0.82 ALDH1A1 (0.68) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL7098717 0.78 CACNA1C (0.52) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL10334323 0.76 MAPT (0.69) ALDH1A1KDM4ECACNA1CCACNA1DLMNA
SCHEMBL31069036 0.76 MAPT (0.69) ALDH1A1KDM4ECACNA1CCACNA1DLMNA

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