SCHEMBL7380457

SCHEMBL7380457

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 6/20 0.60
CACNA1D Q01668 6/20 0.60
ADORA3 P0DMS8 5/20 0.60
CACNA1F O60840 4/20 0.60
CACNA1S Q13698 4/20 0.60
OPRM1 P35372 4/20 0.60
KCNH2 Q12809 4/20 0.60
ABCB11 O95342 3/20 0.60
HTR2B P41595 3/20 0.60
SCN5A Q14524 3/20 0.60
DRD1 P21728 3/20 0.60
ABCC4 O15439 2/20 0.60
LMNA P02545 2/20 0.60
CYP1A2 P05177 2/20 0.60
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
SCN1A P35498 2/20 0.60
SCN2A Q99250 2/20 0.60
SCN3A Q9NY46 2/20 0.60
CACNA1B Q00975 2/20 0.60

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
SCHEMBL10386056 0.92 CACNA1C (0.60) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7382475 0.90 CACNA1C (0.58) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL10386511 0.89 CACNA1C (0.60) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7379595 0.88 CACNA1C (0.64) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL29810716 0.88 CACNA1C (0.77) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL1617472 0.88 CACNA1C (0.77) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL6586819 0.87 CACNA1C (0.63) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL8091424 0.86 CACNA1C (0.70) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7378443 0.85 CACNA1C (0.60) CACNA1CCACNA1DADORA3CACNA1FCACNA1S
SCHEMBL7380539 0.84 CACNA1D (0.59) CACNA1CCACNA1DADORA3CACNA1FCACNA1S

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
US-4525478-A Certain 4-aryl-1,4-dihydro-3,5-pyridinedicarboxylates having vasodilating and anti-hypertensive properties FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-06-25 US disclosed
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US disclosed
US-4338322-A 1,4-Dihydropyridine derivatives, pharmaceutical compositions containing same and methods of effecting vasodilation using same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-06 US disclosed
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US disclosed
US-4145432-A 6-ACYLORYALKYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND A METHOD OF EFFECTING VASODILATION THEREWITH FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed