SCHEMBL10963015

SCHEMBL10963015

O=C1COC(c2ccc(-n3cnc4c3CCCC4)cc2)=NN1

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 6/20 0.66
▸ PDE3A Q14432 6/20 0.66
▸ PDE2A O00408 3/20 0.66
▸ PDE1A P54750 1/20 0.60
▸ PDE1B Q01064 1/20 0.60
▸ PDE1C Q14123 1/20 0.60
▸ MAOB P27338 14/20 0.45

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
SCHEMBL7289586 0.80 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10962496 0.75 PDE2A (0.64) PDE3BPDE3APDE2AMAOB
Tetrahydrobenximidazole SCHEMBL10625034 0.75 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10960086 0.72 PDE3B (0.62) PDE3BPDE3AMAOB
SCHEMBL7382611 0.72 PDE3B (1.00) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7290893 0.71 PDE3B (0.59) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL7282912 0.71 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10833710 0.71 PDE3B (0.66) PDE3BPDE3APDE2APDE1APDE1B
SCHEMBL10960764 0.71 MAOB (0.49) PDE3BPDE3AMAOB
SCHEMBL7461486 0.71 PDE3B (0.61) PDE3BPDE3APDE2APDE1APDE1B

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-4508718-A Cardiotonic and antihypertensive oxadiazinone compounds WARNER-LAMBERT COMPANY (US) 1985-04-02 — — US claimed
EP-0149543-A1 Cardiotonic and antihypertensive oxadiazinone compounds WARNER-LAMBERT COMPANY (US) 1985-07-24 — — EP disclosed
US-4508718-A Cardiotonic and antihypertensive oxadiazinone compounds WARNER-LAMBERT COMPANY (US) 1985-04-02 — — US disclosed
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