SCHEMBL7273597

SCHEMBL7273597

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 4/20 0.70
CACNA1C Q13936 6/20 0.69
LMNA P02545 5/20 0.69
CACNA1D Q01668 5/20 0.69
KMT2A Q03164 5/20 0.69
ADORA3 P0DMS8 4/20 0.69
CYP1A2 P05177 4/20 0.69
CACNA1F O60840 4/20 0.69
CACNA1S Q13698 4/20 0.69
CYP3A4 P08684 3/20 0.69
CYP2C9 P11712 3/20 0.69
CYP2C19 P33261 3/20 0.69
MAPT P10636 3/20 0.69
ABCC4 O15439 2/20 0.69
ABCB11 O95342 2/20 0.69
ADORA2A P29274 2/20 0.69
ADORA1 P30542 2/20 0.69
OPRM1 P35372 2/20 0.69
SCN1A P35498 2/20 0.69
HTR2B P41595 2/20 0.69

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
SCHEMBL7417806 1.00 CACNA1B (0.70) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL29684455 0.96 CACNA1C (0.76) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL13250640 0.92 CACNA1C (0.71) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL11824944 0.92 CYP1A2 (0.82) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL6727797 0.91 CACNA1B (0.70) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL6727790 0.91 CACNA1B (0.70) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL7266381 0.90 CACNA1B (0.74) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL7412221 0.90 CACNA1B (0.74) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL29684477 0.89 CACNA1C (0.70) CACNA1BCACNA1CLMNACACNA1DKMT2A
SCHEMBL6720786 0.89 CACNA1B (0.68) CACNA1BCACNA1CLMNACACNA1DKMT2A

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 9 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-1140203-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035488-A2 VITRONECTIN RECEPTOR ANTAGONIST PHARMACEUTICALS DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO disclosed
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
US-4920225-A Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1990-04-24 US disclosed
EP-0273349-A2 Resolution of 1,4-dihydropyridine derivatives LABORATOIRES SYNTEX S.A. (FR) 1988-07-06 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