SCHEMBL10960086

SCHEMBL10960086

Cc1nccn1-c1ccc(C2=NNC(=O)CO2)cc1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.62
▸ PDE3A Q14432 1/20 0.62
▸ MAOB P27338 16/20 0.48
▸ ADH5 P11766 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.45
▸ MGAM O43451 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SI P14410 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44

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
SCHEMBL7280962 0.77 PDE3B (1.00) PDE3BPDE3AADH5ALDH1A1MGAM
SCHEMBL10960764 0.76 MAOB (0.49) PDE3BPDE3AMAOB
SCHEMBL10620570 0.75 PDE3B (0.63) PDE3BPDE3A
SCHEMBL7321194 0.75 MAOB (0.53) MAOB
SCHEMBL10961621 0.74 PDE3B (0.61) PDE3BPDE3AMAOBADH5
SCHEMBL10965099 0.74 PDE2A (0.65) PDE3BPDE3AMAOB
SCHEMBL10962496 0.73 PDE2A (0.64) PDE3BPDE3AMAOBALDH1A1MGAM
SCHEMBL30305324 0.72 ADH5 (0.66) PDE3BPDE3AMAOBADH5ALDH1A1
SCHEMBL10963015 0.72 PDE3B (0.66) PDE3BPDE3AMAOB
SCHEMBL10511735 0.72 MAOB (0.50) PDE3BPDE3AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0149543-A1 Cardiotonic and antihypertensive oxadiazinone compounds WARNER-LAMBERT COMPANY (US) 1985-07-24 — — EP claimed
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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