SCHEMBL8253585

SCHEMBL8253585

CCCOCCn1c(=O)c(NCc2ccccn2)nc2ncc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ PDE6A P16499 19/20 1.00

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
SCHEMBL8249987 0.88 PDE5A (0.79) PDE5APDE6A
SCHEMBL8253293 0.87 PDE5A (1.00) PDE5APDE6A
SCHEMBL8244320 0.87 PDE5A (0.83) PDE5APDE6A
SCHEMBL8252096 0.87 PDE5A (0.80) PDE5APDE6A
SCHEMBL8252812 0.87 PDE5A (0.80) PDE5APDE6A
SCHEMBL8252928 0.86 PDE5A (0.88) PDE5APDE6A
SCHEMBL8254219 0.85 PDE5A (0.81) PDE5APDE6A
SCHEMBL8250900 0.85 PDE5A (0.88) PDE5APDE6A
SCHEMBL8252777 0.84 PDE5A (0.79) PDE5APDE6A
SCHEMBL8244023 0.84 PDE5A (1.00) PDE5APDE6A

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-2006126081-A2 PYRIDINO [2 , 3-B] PYRAZINONES AS PDE-5 INHIBITORS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-11-30 — — WO disclosed
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