SCHEMBL8178191

SCHEMBL8178191

N#CC1(C#N)OC1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.55
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
PTGS1 P23219 1/20 0.47
SLC6A2 P23975 1/20 0.47
CYP2C19 P33261 1/20 0.47
PTGS2 P35354 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HIF1A Q16665 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
MAOA P21397 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BCHE P06276 1/20 0.44
TP53 P04637 1/20 0.43
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43

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
SCHEMBL8173176 0.85 MAOB (0.47) MAOBMAOABCHENR4A2TNKS2
SCHEMBL9738560 0.79 ALDH1A1 (0.38) LMNACYP2C19PTGS2GAAMAPT
SCHEMBL27367676 0.73 LMNA (0.82) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL339813 0.73 LMNA (0.82) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL403151 0.72 MAOB (1.00) MAOBLMNACYP1A2PTGS1SLC6A2
Benzylphenylether SCHEMBL27762453 0.71 MAOB (0.71) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL5338612 0.71 MAOB (0.49) MAOBLMNACYP1A2PTGS1SLC6A2
Benzylphenylether SCHEMBL28100345 0.71 LMNA (0.71) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL16490914 0.71 MAOB (0.70) MAOBLMNACYP1A2PTGS1SLC6A2
SCHEMBL1436935 0.71 MAOB (0.70) MAOBLMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6030984-A 7-(4-PHENOXYPHENYL)-6-OXOQUINOLIZINES AND DERIVATIVES OF TRICYCLIC RING ANALOGUES, PARTICULARLY 7-OXOTHIENO-(2,3-A)QUINOLIZINE; INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5869500-A INHIBITING BETA-AMYLOID PEPTIDE ACTIVITY HOFFMANN-LA ROCHE INC. (US) 1999-02-09 US disclosed
WO-1998025930-A2 USE OF BI- AND TRICYCLIC PYRIDONE DERIVATIVES AGAINST ALZHEIMER'S DISEASE F. HOFFMANN-LA ROCHE AG (CH) 1998-06-18 WO disclosed