SCHEMBL6776962

SCHEMBL6776962

CCCc1c2nc(-c3cc(NS(C)(=O)=O)cnc3OCC)[nH]c(=O)c2nn1C

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 19/20 0.54
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE6C P51160 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6773014 0.83 PDE5A (0.55) PDE5APDE6C
SCHEMBL6773195 0.80 PDE5A (0.48) PDE5APDE6C
SCHEMBL6443202 0.79 PDE5A (0.75) PDE5APDE3BPDE3APDE6C
SCHEMBL6782391 0.79 PDE5A (0.61) PDE5APDE3BPDE3APDE6CKDM4E
SCHEMBL6441791 0.76 PDE5A (0.67) PDE5A
SCHEMBL6778726 0.75 PDE5A (0.52) PDE5APDE6C
SCHEMBL6777025 0.73 PDE5A (0.51) PDE5APDE6C
SCHEMBL6777354 0.73 PDE5A (0.58) PDE5APDE6C
SCHEMBL6772442 0.73 PDE5A (0.50) PDE5APDE6C
SCHEMBL6777134 0.73 PDE5A (0.50) 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