SCHEMBL16298478

SCHEMBL16298478

CCN1C(=O)c2c(nc(NC3CCCC3)n2Cc2ccc(O)c(Br)c2)N2C[C@@H](C)N=C12

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 0.55
▸ PDE6D O43924 1/20 0.46
▸ PDE6A P16499 1/20 0.46
▸ PDE6G P18545 1/20 0.46
▸ PDE4A P27815 1/20 0.46
▸ PDE6B P35913 1/20 0.46
▸ PDE6C P51160 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4C Q08493 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE6H Q13956 1/20 0.46
▸ PDE11A Q9HCR9 1/20 0.46
▸ PDE10A Q9Y233 1/20 0.46

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
SCHEMBL16299640 0.99 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16313327 0.99 PDE5A (0.55) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL10201583 0.91 PDE5A (0.46) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6628435 0.88 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL6628432 0.88 PDE5A (0.72) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL8360079 0.87 PDE5A (0.51) PDE5A
SCHEMBL8360697 0.86 PDE5A (0.51) PDE5A
SCHEMBL16298480 0.85 PDE5A (0.61) PDE5APDE6DPDE6APDE6GPDE4A
SCHEMBL16297714 0.84 PDE5A (0.73) PDE5A
SCHEMBL6672841 0.81 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE4A

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
WO-2003020724-A1 POLYCYCLIC GUANINE PHOSPHODIESTERASE V INHIBITORS SCHERING CORPORATION (US) 2003-03-13 — — WO disclosed
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