SCHEMBL7372829

SCHEMBL7372829

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 8/20 0.61
CACNA1D Q01668 8/20 0.61
CACNA1F O60840 6/20 0.61
CACNA1S Q13698 6/20 0.61
ADORA3 P0DMS8 4/20 0.61
ABCC4 O15439 2/20 0.61
ABCB11 O95342 2/20 0.61
LMNA P02545 2/20 0.61
CYP1A2 P05177 2/20 0.61
ADORA2A P29274 2/20 0.61
ADORA1 P30542 2/20 0.61
OPRM1 P35372 2/20 0.61
SCN1A P35498 2/20 0.61
HTR2B P41595 2/20 0.61
KCNH2 Q12809 2/20 0.61
SCN5A Q14524 2/20 0.61
SCN2A Q99250 2/20 0.61
SCN3A Q9NY46 2/20 0.61
NR1I2 O75469 1/20 0.61
NR3C1 P04150 1/20 0.61

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
SCHEMBL7379046 0.94 CACNA1D (0.55) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7383094 0.93 CACNA1D (0.55) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7379647 0.93 CACNA1D (0.55) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7382399 0.93 ADORA3 (0.55) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7380358 0.91 CACNA1D (0.52) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7379716 0.89 ADORA3 (0.53) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL7382393 0.89 ADORA3 (0.69) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL29810716 0.88 CACNA1C (0.77) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL1617472 0.88 CACNA1C (0.77) CACNA1CCACNA1DCACNA1FCACNA1SADORA3
SCHEMBL11271491 0.85 CACNA1C (0.61) CACNA1CCACNA1DCACNA1FCACNA1SADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4284634-A HYPOTENSIVE VASODILATORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 US claimed
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