SCHEMBL7955249

SCHEMBL7955249

CCOC(=O)N1CCC(NC(=O)c2cnc3c(cnn3CC)c2NCc2ccc(OC)c(Cl)c2)CC1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 16/20 0.68
PDE4B Q07343 4/20 0.52
PDE6D O43924 1/20 0.47
PDE6A P16499 1/20 0.47
PDE6G P18545 1/20 0.47
PDE6B P35913 1/20 0.47
PDE6C P51160 1/20 0.47
PDE6H Q13956 1/20 0.47

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
SCHEMBL7955102 0.93 PDE5A (0.72) PDE5APDE4B
SCHEMBL7959208 0.88 PDE5A (0.71) PDE5APDE4B
SCHEMBL7962133 0.88 PDE5A (0.69) PDE5APDE4B
SCHEMBL7955490 0.83 PDE5A (0.90) PDE5APDE4BPDE6DPDE6APDE6G
SCHEMBL7957344 0.83 PDE5A (0.76) PDE5APDE4BPDE6DPDE6APDE6G
SCHEMBL7958799 0.83 PDE5A (0.75) PDE5APDE4BPDE6DPDE6APDE6G
SCHEMBL7167126 0.82 PDE5A (0.71) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7954856 0.82 PDE5A (0.71) PDE5APDE4B
SCHEMBL7948019 0.82 PDE5A (0.82) PDE5APDE4BPDE6DPDE6APDE6G
SCHEMBL7957337 0.82 PDE5A (0.73) PDE5APDE4BPDE6DPDE6APDE6G

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-6326379-B1 ERECTILE DYSFUNCTION; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. 2001-12-04 US disclosed