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SCHEMBL8250250

SCHEMBL8250250

CCCOCCn1c(=O)c(NC2CCC(O)CC2)nc2cnc(-c3ccc(OC)nc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 20/20 1.00
▸ PDE6A P16499 18/20 1.00
▸ PDE4B Q07343 1/20 1.00
▸ PDE4D Q08499 1/20 1.00
▸ PDE11A Q9HCR9 1/20 1.00
▸ ACHE P22303 1/20 0.70
▸ ADORA1 P30542 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
SCHEMBL8249876 0.94 PDE5A (0.88) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8247034 0.93 PDE5A (0.87) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8247027 0.93 PDE5A (0.87) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8246028 0.92 PDE5A (0.85) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8249886 0.92 PDE5A (0.84) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8247144 0.91 PDE5A (0.84) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8242036 0.91 PDE5A (0.84) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8242727 0.91 PDE5A (0.83) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8250677 0.90 PDE5A (0.82) PDE5APDE6APDE4BPDE4DPDE11A
SCHEMBL8249865 0.90 PDE5A (0.82) PDE5APDE6APDE4BPDE4DPDE11A

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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