SCHEMBL6783320

SCHEMBL6783320

O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc4c(c3)OCO4)N2C(=O)CN1Cc1ccc(F)cc1

nearest known ligand 0.88

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 11/20 0.88
PDE6D O43924 4/20 0.72
PDE6A P16499 4/20 0.72
PDE6G P18545 4/20 0.72
PDE6B P35913 4/20 0.72
PDE6C P51160 4/20 0.72
PDE6H Q13956 4/20 0.72
PDE11A Q9HCR9 3/20 0.72
ACHE P22303 4/20 0.70
NR1I2 O75469 1/20 0.70
PDE4A P27815 1/20 0.70
MAPK1 P28482 1/20 0.70
SLC6A4 P31645 1/20 0.70
PDE4B Q07343 1/20 0.70
PDE4C Q08493 1/20 0.70
PDE4D Q08499 1/20 0.70
KCNH2 Q12809 1/20 0.70
NR2E1 Q9Y466 1/20 0.70

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
SCHEMBL6783323 1.00 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6783325 1.00 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7573161 0.95 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7573173 0.95 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7573167 0.95 PDE5A (0.80) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7442714 0.94 PDE5A (0.91) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689505 0.94 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7449046 0.94 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL7689509 0.94 PDE5A (1.00) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL6506476 0.92 PDE5A (0.88) PDE5APDE6DPDE6APDE6GPDE6B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6784179-B2 treating a vascular disease by administering e.g. tadalafil in combination with an endothelium-derived relaxing factor, an atrial natriuretic factor, a brain natriuretic peptide, a C-type natriuretic peptide, or an endothelium-dependent relaxing agent such as serotonin ICOS CORPORATION 2004-08-31 US disclosed
US-6369059-B1 INHIBITOR OF CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE SPECIFIC PHOSPHODIESTERASE (CGMP SPECIFIC PDE); CARDIOVASCULAR DISORDERS; PYRAZINO(2',1':6,1)PYRIDO(3,4-B)INDOLE-1,4-DIONES ICOS CORPORATION 2002-04-09 US disclosed
US-6025494-A CYCLIZATION OF DICARBONYL-SUBSTITUTED PYRIDOINDOLES YIELDS PHOSPHODIESTERASE INHIBITORS ICOS CORPORATION (US) 2000-02-15 US disclosed