SCHEMBL6947787

SCHEMBL6947787

COCCN1C(C)=C(C(=O)O)C(c2cccc(Cl)c2C#N)C(C(=O)OC(C)C)=C1C

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PYGM P11217 19/20 0.55
PYGL P06737 18/20 0.55
NR3C2 P08235 1/20 0.42

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
SCHEMBL6949655 0.92 PYGL (0.44) PYGMPYGLNR3C2
SCHEMBL5754356 0.89 PYGM (0.51) PYGMPYGLNR3C2
SCHEMBL7307972 0.89 PYGM (0.51) PYGMPYGLNR3C2
SCHEMBL5752638 0.89 PYGM (0.51) PYGMPYGLNR3C2
SCHEMBL6952275 0.85 NR3C2 (0.42) PYGMPYGLNR3C2
SCHEMBL6951538 0.85 PYGM (0.51) PYGMPYGLNR3C2
SCHEMBL6952044 0.80 PYGM (0.50) PYGMPYGLNR3C2
SCHEMBL6953545 0.80 PYGM (0.49) PYGMPYGLNR3C2
SCHEMBL6949888 0.80 PYGM (0.60) PYGMPYGL
SCHEMBL6947702 0.80 PYGM (0.53) PYGMPYGLNR3C2

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-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP disclosed
EP-0657432-A1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed