SCHEMBL8638136

SCHEMBL8638136

CCNC(=O)Oc1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])CO2

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.38
BCHE P06276 11/20 0.38
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MGLL Q99685 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL8637479 0.93 ACHE (0.38) ACHEBCHEMGLLOPRM1OPRD1
SCHEMBL8640361 0.83 PLCG1 (0.40) ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL8639190 0.81 LMNA (0.35) ALDH1A1SMN1; SMN2
SCHEMBL8658972 0.81 SMN1; SMN2 (0.39) ALDH1A1SMN1; SMN2
SCHEMBL8636623 0.79 CASP6 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL6436979 0.78 ALDH1A1 (0.36) ACHEALDH1A1SMN1; SMN2
SCHEMBL8637170 0.78 MAPT (0.35) ALDH1A1
SCHEMBL8635721 0.78 HPGD (0.39) ALDH1A1SMN1; SMN2
SCHEMBL8638962 0.77 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2OPRM1OPRD1
SCHEMBL9004558 0.77 LMNA (0.41) ACHEALDH1A1SMN1; SMN2

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
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US claimed
EP-0566018-B1 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO SPA (IT) 1998-08-05 EP disclosed
US-5480882-A Benzoxazinone and benzothiazinone derivatives having cardiovascular activity ITALFARMACO S.P.A. (IT) 1996-01-02 US disclosed
EP-0566018-A2 Benzoxazinone and benzothiazinone derivatives endowed with cardiovascular activity ITALFARMACO S.p.A. (IT) 1993-10-20 EP disclosed