SCHEMBL8247637

SCHEMBL8247637

CCCOCCn1c(=O)c(NC[C@@H](C)O)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ PDE6A P16499 20/20 1.00
▸ KCNH2 Q12809 1/20 0.75

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
SCHEMBL8250248 1.00 PDE5A (1.00) PDE5APDE6AKCNH2
SCHEMBL5822035 0.93 PDE5A (0.87) PDE5APDE6AKCNH2
SCHEMBL8246664 0.93 PDE5A (0.87) PDE5APDE6AKCNH2
SCHEMBL5822040 0.93 PDE5A (0.87) PDE5APDE6AKCNH2
SCHEMBL8247229 0.92 PDE5A (0.85) PDE5APDE6AKCNH2
SCHEMBL8239973 0.92 PDE5A (0.85) PDE5APDE6AKCNH2
SCHEMBL8240952 0.92 PDE5A (0.84) PDE5APDE6AKCNH2
SCHEMBL8248183 0.90 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL8251080 0.90 PDE5A (0.82) PDE5APDE6AKCNH2
SCHEMBL8250042 0.89 PDE5A (0.85) PDE5APDE6AKCNH2

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-2006126083-A1 PYRIDINE [3 , 4-B] PYRAZINONE COMPOUNDS AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 — — WO disclosed
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