SCHEMBL7420768

SCHEMBL7420768

CC1=CC(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 9/20 0.54
CACNA1D Q01668 9/20 0.54
CACNA1S Q13698 9/20 0.54
CACNA1C Q13936 9/20 0.54
ADORA3 P0DMS8 1/20 0.54
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 2/20 0.52
PDE1C Q14123 1/20 0.52
CACNA1B Q00975 1/20 0.51
HIF1A Q16665 3/20 0.50
MEN1 O00255 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50

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
SCHEMBL7420762 1.00 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL27282494 0.89 CACNA1F (0.48) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL2781025 0.88 HIF1A (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL9262436 0.88 HIF1A (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11008647 0.86 CACNA1C (0.72) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11012400 0.85 MEN1 (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL11166123 0.83 CACNA1F (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
Ethyl Chloride SCHEMBL2777613 0.83 HIF1A (0.63) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL17237461 0.83 CACNA1F (0.64) CACNA1FCACNA1DCACNA1SCACNA1CADORA3
SCHEMBL3940339 0.83 CACNA1F (0.71) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP claimed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO claimed
EP-0126094-B1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL S.A. (CH) 1990-06-20 EP disclosed
EP-0126094-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS. CERMOL SA (CH) 1984-11-28 EP disclosed
WO-1984002132-A1 NEW 1,4-DIHYDROPYRIDINE ESTERS AND PREPARATION METHODS THEREOF AND DRUGS CONTAINING SAID ESTERS CERMOL SA (CH) 1984-06-07 WO disclosed