SCHEMBL7412221

SCHEMBL7412221

CCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.74
CACNA1C Q13936 7/20 0.70
CACNA1D Q01668 7/20 0.70
ADORA3 P0DMS8 6/20 0.70
CACNA1F O60840 5/20 0.70
CACNA1S Q13698 5/20 0.70
ABCC4 O15439 2/20 0.70
ABCB11 O95342 2/20 0.70
LMNA P02545 2/20 0.70
CYP1A2 P05177 2/20 0.70
ADORA2A P29274 2/20 0.70
ADORA1 P30542 2/20 0.70
OPRM1 P35372 2/20 0.70
SCN1A P35498 2/20 0.70
HTR2B P41595 2/20 0.70
KCNH2 Q12809 2/20 0.70
SCN5A Q14524 2/20 0.70
SCN2A Q99250 2/20 0.70
SCN3A Q9NY46 2/20 0.70
MAPT P10636 2/20 0.70

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
SCHEMBL7266381 1.00 CACNA1B (0.74) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL29810716 0.95 CACNA1C (0.77) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL1617472 0.95 CACNA1C (0.77) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL6727790 0.92 CACNA1B (0.70) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL6727797 0.92 CACNA1B (0.70) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL8091424 0.91 CACNA1C (0.70) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL5085498 0.91 ADORA3 (0.86) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL9502416 0.90 CACNA1B (0.62) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL6720786 0.90 CACNA1B (0.68) CACNA1BCACNA1CCACNA1DADORA3CACNA1F
SCHEMBL6720781 0.90 CACNA1B (0.68) CACNA1BCACNA1CCACNA1DADORA3CACNA1F

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 7 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
US-4727066-A CARDIOVASCULAR DISORDERS CERMOL S.A. (CH) 1988-02-23 US disclosed
US-4707479-A CARDIOVASCULAR DISORDERS, BLOOD SUGAR CONTROL BAYER AKTIENGESELLSCHAFT (DE) 1987-11-17 US disclosed
US-4656181-A CARDIOTONIC AGENTS CERMOL S.A. (CH) 1987-04-07 US 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