SCHEMBL31069045

SCHEMBL31069045

CCOC(=O)C1=C(CC)NC2=C(C(=O)OC2)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 12/20 0.60
CACNA1D Q01668 12/20 0.60
CACNA1S Q13698 12/20 0.60
CACNA1C Q13936 12/20 0.60
ADORA3 P0DMS8 1/20 0.60
ALDH1A1 P00352 2/20 0.58
KDM4E B2RXH2 1/20 0.58
HIF1A Q16665 3/20 0.56
MEN1 O00255 2/20 0.56
CYP1A2 P05177 2/20 0.56
CYP3A4 P08684 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
KMT2A Q03164 2/20 0.56
MAPT P10636 2/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
MAPK1 P28482 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
SCHEMBL31069039 1.00 CACNA1F (0.60) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10725299 0.91 KDM4E (0.71) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL31069033 0.90 ALDH1A1 (0.61) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL31069042 0.87 CACNA1C (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL31069034 0.87 CACNA1C (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11009393 0.83 MEN1 (0.66) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10975735 0.82 CACNA1C (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL10694127 0.81 CACNA1F (0.85) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL31069035 0.81 ALDH1A1 (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL31069044 0.81 ALDH1A1 (0.55) CACNA1FCACNA1DCACNA1SCACNA1CADORA3

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