SCHEMBL5751271

SCHEMBL5751271

COc1cc(-c2nc3c(C)nn(C4CCCCC4)c3c(=O)[nH]2)cnc1N1CCC(NC(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 18/20 0.54
PDE7B Q9NP56 4/20 0.54
PDE4D Q08499 2/20 0.41
SMPD3 Q9NY59 1/20 0.40

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
SCHEMBL5751276 0.85 SMPD3 (0.42) PDE7APDE7BSMPD3
SCHEMBL5232537 0.83 PDE7A (0.68) PDE7APDE7BPDE4D
SCHEMBL1813868 0.79 PDE7A (0.57) PDE7APDE7BPDE4D
SCHEMBL5232033 0.73 PDE7A (0.72) PDE7APDE7BPDE4D
SCHEMBL5236072 0.73 PDE7A (0.72) PDE7APDE7BPDE4D
SCHEMBL5230528 0.72 PDE7A (0.68) PDE7APDE7BPDE4D
SCHEMBL5228274 0.72 PDE7A (0.53) PDE7APDE7B
SCHEMBL5230898 0.72 PDE7A (0.62) PDE7APDE7BPDE4D
SCHEMBL5234070 0.72 PDE7A (0.64) PDE7APDE7BPDE4D
SCHEMBL5232790 0.71 PDE7A (0.69) PDE7APDE7BPDE4D

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-1636235-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS Daiichi Asubio Pharma Co., Ltd. (JP) 2006-03-22 EP disclosed
WO-2004111054-A1 PYRIDINYLPYRAZOLOPYRIMIDINONE DERIVATIVES AS PDE 7 INHIBITORS DAIICHI ASUBIO PHARMA CO.,LTD. (JP) 2004-12-23 WO disclosed