SCHEMBL8523310

SCHEMBL8523310

CCOC1=NC(CC)=C(C(=O)OC)C(c2ccc(F)c(F)c2)N1C(=O)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 5/20 0.39
CACNA1D Q01668 5/20 0.39
CACNA1S Q13698 5/20 0.39
CACNA1C Q13936 5/20 0.39
ADRA1D P25100 6/20 0.38
ADRA1A P35348 6/20 0.38
ADRA1B P35368 6/20 0.38
ADORA3 P0DMS8 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
KDM1A O60341 1/20 0.33

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
SCHEMBL6646229 0.94 ADRA1D (0.39) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6784838 0.86 ADRA1A (0.39) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6715281 0.86 BCL9 (0.35) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6715274 0.86 BCL9 (0.35) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6216267 0.83 PDE1C (0.38) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6194063 0.82 CACNA1F (0.41) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6196841 0.79 MEN1 (0.35) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL7162576 0.77 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL6193641 0.77 ADRA1D (0.54) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D
SCHEMBL7978679 0.77 PDE1C (0.39) CACNA1FCACNA1DCACNA1SCACNA1CADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0866708-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1999-05-06 EP disclosed
EP-0866708-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-09-30 EP disclosed
WO-1997017969-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-05-22 WO disclosed