SCHEMBL5245015

SCHEMBL5245015

CCOCCn1nc(COCC)c2nc(Cl)nc(Nc3cccc(CC)n3)c21

nearest known ligand 0.52

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 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
SCHEMBL5247829 0.94 PDE5A (0.51) PDE5A
SCHEMBL8261159 0.94 PDE5A (0.58) PDE5A
SCHEMBL4038006 0.90 PDE5A (0.62) PDE5A
SCHEMBL5249853 0.86 PDE5A (0.61) PDE5A
SCHEMBL8260957 0.85 PDE5A (0.69) PDE5A
SCHEMBL5245867 0.85 PDE5A (0.57) PDE5A
SCHEMBL4039971 0.84 PDE5A (0.60) PDE5A
SCHEMBL4216275 0.82 PDE5A (0.62) PDE5A
SCHEMBL14441290 0.82 PDE5A (0.56) PDE5A
SCHEMBL5248107 0.81 PDE5A (0.60) PDE5A

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-1809632-A2 PYRAZOLO[4,3-D]PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS Pharmacia & Upjohn Company LLC (US) 2007-07-25 EP disclosed
WO-2006046135-A2 PYRAZOLO[4,3-D] PYRIMIDINE DERIVATIVES USEFUL AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-05-04 WO disclosed