SCHEMBL6777523

SCHEMBL6777523

CCOc1ncc(C(C)=O)cc1C(=O)Nc1c(C(N)=O)nn(C2CCN(C(=O)O)CC2)c1CC

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 17/20 0.58
PDE6C P51160 1/20 0.33
CCNA2 P20248 2/20 0.32
CDK2 P24941 2/20 0.32
CCNA1 P78396 2/20 0.32
AURKA O14965 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6363110 0.93 PDE5A (0.59) PDE5APDE6C
SCHEMBL6358925 0.87 PDE5A (0.66) PDE5APDE6C
SCHEMBL6356946 0.83 PDE5A (0.52) PDE5ACCNA2CDK2CCNA1AURKA
SCHEMBL6782080 0.82 PDE5A (0.48) PDE5ACDK2
SCHEMBL6379410 0.76 PDE5A (0.43) PDE5ACCNA2CDK2
SCHEMBL3573368 0.76 PDE5A (0.88) PDE5A
SCHEMBL2402678 0.76 PDE5A (0.53) PDE5APDE6C
SCHEMBL6202135 0.76 PDE5A (0.45) PDE5AMAPT
SCHEMBL2405246 0.76 PDE5A (0.92) PDE5A
SCHEMBL2404353 0.75 PDE5A (0.79) 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 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