SCHEMBL8555300

SCHEMBL8555300

COC(=O)C1=C(C)N=C(OC)N(C(=O)Oc2ccccc2[N+](=O)[O-])C1c1ccc(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 16/20 0.45
ADRA1A P35348 16/20 0.45
ADRA1B P35368 16/20 0.45
CACNA1F O60840 1/20 0.39
CACNA1D Q01668 1/20 0.39
CACNA1S Q13698 1/20 0.39
CACNA1C Q13936 1/20 0.39

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
SCHEMBL6194063 0.85 CACNA1F (0.41) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6198371 0.82 ADRA1D (0.60) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6195392 0.77 CACNA1F (0.40) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL3988068 0.77 MGLL (0.41) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6199441 0.75 MEN1 (0.44) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6262192 0.75 ADRA1D (0.50) ADRA1DADRA1AADRA1B
SCHEMBL6646229 0.75 ADRA1D (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6784838 0.74 ADRA1A (0.39) ADRA1DADRA1AADRA1BCACNA1FCACNA1D
SCHEMBL6247829 0.74 CACNA1F (0.36) CACNA1FCACNA1DCACNA1SCACNA1C
SCHEMBL6198367 0.72 ADRA1D (0.41) ADRA1DADRA1AADRA1BCACNA1FCACNA1D

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
EP-0790826-A4 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 1998-11-11 EP disclosed
EP-0790826-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-08-27 EP disclosed