SCHEMBL7378405

SCHEMBL7378405

COC(=O)C1=C(C(OC)OC)NC(C)=C(C(=O)O)C1c1ccccc1C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.60
CACNA1F O60840 1/20 0.60
CACNA1D Q01668 1/20 0.60
CACNA1S Q13698 1/20 0.60
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
ADORA3 P0DMS8 3/20 0.56
MAPT P10636 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
TSHR P16473 2/20 0.56
NFKB1 P19838 2/20 0.56
MEN1 O00255 1/20 0.56
CYP2D6 P10635 1/20 0.56
KMT2A Q03164 1/20 0.56
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NR1I2 O75469 1/20 0.47

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
SCHEMBL7159720 0.88 CACNA1C (0.72) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7382176 0.85 TSHR (0.51) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL11189265 0.85 NR1I2 (0.48) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7379284 0.84 NR1I2 (0.47) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7380940 0.84 NR1I2 (0.55) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7381416 0.84 KDM4E (0.49) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7431449 0.83 CACNA1C (0.78) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2
SCHEMBL7380754 0.82 CACNA1C (0.55) CACNA1CCACNA1FCACNA1DCACNA1S
SCHEMBL7385215 0.82 ADORA3 (0.57) CACNA1CCACNA1FCACNA1DCACNA1SADORA3
SCHEMBL7380704 0.82 CACNA1C (0.59) CACNA1CCACNA1FCACNA1DCACNA1SCYP1A2

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 4 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