SCHEMBL8173176

SCHEMBL8173176

N#CC1(C#N)OC1c1cccc(OCc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.47
NR4A2 P43354 1/20 0.47
TNKS2 Q9H2K2 1/20 0.45
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
BCHE P06276 1/20 0.44
KDM1A O60341 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44
MAOA P21397 1/20 0.43
KCNH2 Q12809 1/20 0.43
SMPD1 P17405 1/20 0.43
NAAA Q02083 1/20 0.42
SRD5A2 P31213 1/20 0.42
ALOX5 P09917 1/20 0.42
GUSB P08236 1/20 0.42

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
SCHEMBL8178191 0.85 MAOB (0.55) MAOBNR4A2TNKS2BCHEMAOA
SCHEMBL9738560 0.75 ALDH1A1 (0.38) KDM1A
SCHEMBL8190357 0.73 MAOB (0.53) MAOBNR4A2TNKS2CYP4F2CYP4A11
SCHEMBL8190359 0.73 MAOB (0.53) MAOBNR4A2TNKS2CYP4F2CYP4A11
SCHEMBL6583019 0.72 MAOB (0.56) MAOBNR4A2TNKS2CYP4F2CYP4A11
SCHEMBL1268719 0.72 MAOB (0.81) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL30344886 0.70 MAOB (0.69) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL1636426 0.70 BCHE (0.58) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL538272 0.70 MAOB (0.69) MAOBNR4A2CYP4F2CYP4A11BCHE
SCHEMBL6588487 0.70 SPHK1 (0.55) MAOBNR4A2TNKS2CYP4F2CYP4A11

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