SCHEMBL8638798

SCHEMBL8638798

CN(C)C(=O)c1ccc2c(c1)C(=O)N(CCO[N+](=O)[O-])CO2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
HTR1A P08908 1/20 0.35
AKT1 P31749 1/20 0.33
AKT2 P31751 1/20 0.33
PIK3CD O00329 2/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RAB9A P51151 1/20 0.32
CASP3 P42574 1/20 0.32
LMNA P02545 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
HPGD P15428 3/20 0.30
GAA P10253 1/20 0.30
TSHR P16473 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
SCHEMBL8635721 0.87 HPGD (0.39) ALDH1A1SMN1; SMN2HPGDTSHR
SCHEMBL8639858 0.83 ALDH1A1 (0.37) HTR1AALDH1A1
SCHEMBL8637170 0.82 MAPT (0.35) ALDH1A1RAB9A
SCHEMBL6436979 0.82 ALDH1A1 (0.36) PIK3CDALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL8636623 0.80 CASP6 (0.41) ALDH1A1SMN1; SMN2RAB9AHPGDGAA
SCHEMBL8635639 0.79 CASP1 (0.39) HTR1AALDH1A1RAB9ACASP3
SCHEMBL9173014 0.79 MAOB (0.35)
SCHEMBL9004590 0.79
SCHEMBL8638128 0.78 PPARD (0.33) HTR1AALDH1A1LMNAGAATSHR
SCHEMBL8635637 0.77 ALDH1A1 (0.37) HTR1AALDH1A1SMN1; SMN2HPGDGAA

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