SCHEMBL31069042

SCHEMBL31069042

CCCOC(=O)C1=C(CCC)NC2=C(C(=O)OC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 10/20 0.55
CACNA1F O60840 9/20 0.55
CACNA1D Q01668 9/20 0.55
CACNA1S Q13698 9/20 0.55
ADORA3 P0DMS8 1/20 0.50
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 4/20 0.48
CYP1A2 P05177 4/20 0.48
CYP3A4 P08684 4/20 0.48
CYP2C9 P11712 4/20 0.48
CYP2C19 P33261 4/20 0.48
KMT2A Q03164 4/20 0.48
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
CYP2D6 P10635 2/20 0.48
TSHR P16473 2/20 0.48
NFKB1 P19838 2/20 0.48
THPO P40225 2/20 0.48
HIF1A Q16665 3/20 0.47

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
SCHEMBL31069034 1.00 CACNA1C (0.55) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069037 0.90 ALDH1A1 (0.51) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069039 0.87 CACNA1F (0.60) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069045 0.87 CACNA1F (0.60) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11009393 0.84 MEN1 (0.66) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL10725299 0.83 KDM4E (0.71) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069041 0.82 ALDH1A1 (0.46) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069040 0.82 ALDH1A1 (0.46) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11685513 0.78 CACNA1F (0.76) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL31069038 0.77 MAPT (0.63) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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