SCHEMBL10962496

SCHEMBL10962496

O=C1COC(c2ccc(-n3cnc4ccccc43)cc2)=NN1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.64
▸ PDE3B Q13370 1/20 0.64
▸ PDE3A Q14432 1/20 0.64
▸ MAOB P27338 6/20 0.52
▸ HTT P42858 3/20 0.48
▸ FGFR1 P11362 1/20 0.47
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 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
SCHEMBL7280920 0.78 PDE3B (1.00) PDE2APDE3BPDE3AHTTFGFR1
SCHEMBL10963015 0.75 PDE3B (0.66) PDE2APDE3BPDE3AMAOB
SCHEMBL10629606 0.74 PDE3B (0.62) PDE2APDE3BPDE3AHTTSMN1; SMN2
SCHEMBL517561 0.74 MAOB (0.74) MAOB
SCHEMBL2531256 0.74 HTT (0.78) PDE2APDE3BPDE3AHTTFGFR1
SCHEMBL10960086 0.73 PDE3B (0.62) PDE3BPDE3AMAOBMGAMGAA
SCHEMBL30402227 0.72 HTT (0.88) HTTFGFR1KDM4EALDH1A1RAB9A
SCHEMBL3419279 0.72 HTT (0.88) HTTFGFR1KDM4EALDH1A1RAB9A
SCHEMBL10960764 0.72 MAOB (0.49) PDE3BPDE3AMAOB
SCHEMBL18731746 0.71 HTT (0.79) PDE2APDE3BPDE3AHTTFGFR1

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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