SCHEMBL7433908

SCHEMBL7433908

CC1=C(C(=O)O)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)OC(C)C)=C(C)N1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 3/20 0.64
CACNA1F O60840 2/20 0.64
CACNA1D Q01668 2/20 0.64
CACNA1S Q13698 2/20 0.64
CACNA1B Q00975 2/20 0.62
ADORA3 P0DMS8 3/20 0.61
MAPT P10636 3/20 0.57
MEN1 O00255 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
KMT2A Q03164 2/20 0.57
LMNA P02545 2/20 0.57
CYP2D6 P10635 1/20 0.57
TSHR P16473 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
NR1I2 O75469 1/20 0.52
NR3C1 P04150 1/20 0.52

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
SCHEMBL7162260 0.90 ADORA3 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7034433 0.88 CACNA1B (0.64) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL3058683 0.88 CACNA1F (0.80) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7160127 0.88 ADORA3 (0.78) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7266605 0.86 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7272138 0.86 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL7421240 0.86 MEN1 (0.76) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL23686216 0.85 MEN1 (0.78) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
Hydrochloric Acid SCHEMBL7300438 0.85 MEN1 (0.74) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B
SCHEMBL10746511 0.85 CACNA1F (0.72) CACNA1CCACNA1FCACNA1DCACNA1SCACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0097821-A2 Dihydropyridines with an antagonistic activity to calcium, process for their preparation, and pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1984-01-11 EP disclosed