SCHEMBL6778416

SCHEMBL6778416

CCc1c2nc(-c3cc(C(C)=O)cnc3OCC(C)C)[nH]c(=O)c2nn1Cc1ccccn1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 20/20 0.73
PDE6C P51160 3/20 0.73

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
SCHEMBL6781687 0.91 PDE5A (0.83) PDE5APDE6C
SCHEMBL6775859 0.90 PDE5A (0.90) PDE5APDE6C
SCHEMBL6443363 0.82 PDE5A (0.83) PDE5APDE6C
SCHEMBL6363509 0.79 PDE5A (0.66) PDE5APDE6C
SCHEMBL6629253 0.79 PDE5A (0.65) PDE5APDE6C
SCHEMBL2031422 0.79 PDE5A (0.73) PDE5APDE6C
SCHEMBL6443278 0.78 PDE5A (0.70) PDE5APDE6C
SCHEMBL6773299 0.78 PDE5A (1.00) PDE5APDE6C
SCHEMBL6783033 0.77 PDE5A (0.85) PDE5APDE6C
SCHEMBL6777637 0.76 PDE5A (0.62) PDE5APDE6C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6756373-B1 SUCH AS 5-(2-BUTOXY-5-IODO-3-PYRIDINYL)-3-ETHYL-2-(2-METHOXY-ETHYL)-2,6-DIHYDRO-7H -PYRAZOLO(4,3-D)PYRIMIDIN-7-ONE; CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE INHIBITORS; ERECTILE DYSFUNCTION PFIZER INC. 2004-06-29 US disclosed