SCHEMBL7379745

SCHEMBL7379745

CCOC(=O)C1=C(C)NC(C=O)=C(C(=O)OCC)C1c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 15/20 0.61
CACNA1F O60840 12/20 0.54
CACNA1D Q01668 12/20 0.54
CACNA1S Q13698 12/20 0.54
ADORA3 P0DMS8 2/20 0.54
HIF1A Q16665 3/20 0.51
MEN1 O00255 2/20 0.51
CYP1A2 P05177 2/20 0.51
CYP3A4 P08684 2/20 0.51
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
GPR55 Q9Y2T6 1/20 0.51
CYP2D6 P10635 1/20 0.51
TSHR P16473 1/20 0.51
NFKB1 P19838 1/20 0.51

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
SCHEMBL7380848 0.89 CACNA1C (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7380847 0.89 CACNA1C (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11829575 0.87 ADORA3 (0.69) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7377444 0.84 CACNA1C (0.61) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11834840 0.84 CACNA1C (0.65) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11690943 0.83 ADORA3 (0.61) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11669883 0.83 CACNA1C (0.59) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7377945 0.82 CACNA1C (0.59) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL11754968 0.82 CACNA1C (0.58) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7275991 0.82 CACNA1F (0.82) CACNA1CCACNA1FCACNA1DCACNA1SADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4370334-A VASODILATION FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-01-25 US claimed
JP-59231017-A None JP disclosed
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
JP-S59231017-A VASODILATOR AND HYPOTENSOR CONTAINING 1,4 - DIHYDROPYRIDINE DERIVATIVE FUJISAWA PHARMACEUT CO LTD 1984-12-25 JP 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