SCHEMBL9166368

SCHEMBL9166368

O=C1c2ccc(Cl)cc2OCN1CCO[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.32
PTGS2 P35354 1/20 0.32
MAOB P27338 4/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALPL P05186 1/20 0.30
ROCK2 O75116 1/20 0.30
ROCK1 Q13464 1/20 0.30
CYP3A4 P08684 1/20 0.30
DPP4 P27487 1/20 0.30
DPP8 Q6V1X1 1/20 0.30
P2RY6 Q15077 1/20 0.30

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
SCHEMBL9173014 0.91 MAOB (0.35) PTGS2MAOBMAPK1ALPL
SCHEMBL8638777 0.86 MAOA (0.38) MAOB
SCHEMBL8641204 0.86 ACHE (0.38) ACHEALDH1A1
SCHEMBL9167754 0.86 ALDH1A1 (0.36) ACHEMAOBALDH1A1LMNAROCK2
SCHEMBL9170026 0.84 ROCK2 (0.40) ACHEMAOBALDH1A1ROCK2ROCK1
SCHEMBL8635637 0.83 ALDH1A1 (0.37) ACHEPTGS2MAOBALDH1A1ROCK2
SCHEMBL8656492 0.83 ROCK2 (0.37) ACHEMAOBROCK2ROCK1P2RY6
Sinitrodil SCHEMBL503115 0.83 TSHR (0.34) PTGS2MAOBALDH1A1LMNA
Sinitrodil SCHEMBL31066546 0.83 TSHR (0.34) PTGS2MAOBALDH1A1LMNA
SCHEMBL8640371 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP claimed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US claimed
EP-0490183-A1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1992-06-17 EP claimed
EP-0490183-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1995-04-19 EP disclosed
US-5189034-A Vasodilating, antianginal agents ITALFARMACO S.P.A. (IT) 1993-02-23 US disclosed