SCHEMBL7399443

SCHEMBL7399443

CC1=C(C(=O)OCC[N+](=O)[O-])C(c2ccccc2[N+](=O)[O-])C(C(=O)OCC[N+](=O)[O-])=C(C)N1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1D Q01668 7/20 0.70
CACNA1C Q13936 6/20 0.70
CACNA1F O60840 5/20 0.70
CACNA1S Q13698 5/20 0.70
ADORA3 P0DMS8 3/20 0.70
LMNA P02545 3/20 0.70
ABCC4 O15439 2/20 0.70
ABCB11 O95342 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
CACNA1B Q00975 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
SCHEMBL7486022 0.89 CACNA1D (0.72) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL29684455 0.89 CACNA1C (0.76) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6727785 0.89 CACNA1D (0.72) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
Hydrochloric Acid SCHEMBL7486013 0.88 CACNA1D (0.70) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL29810716 0.88 CACNA1C (0.77) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL1617472 0.88 CACNA1C (0.77) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL6720778 0.87 CACNA1C (0.69) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL13250640 0.86 CACNA1C (0.71) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL11824944 0.86 CYP1A2 (0.82) CACNA1DCACNA1CCACNA1FCACNA1SADORA3
SCHEMBL8087381 0.86 CACNA1D (0.67) CACNA1DCACNA1CCACNA1FCACNA1SADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4472411-A 1,4-Dihydropyridine derivatives and use as vasodilators TAISHO PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0092936-A1 1,4-Dihydropyridine derivatives TAISHO PHARMACEUTICAL CO. LTD (JP) 1983-11-02 EP disclosed