SCHEMBL8607491

SCHEMBL8607491

c1cnn(CN2CCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
ALDH1A1 P00352 1/20 0.32
DAO P14920 1/20 0.31
AURKA O14965 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL5556736 0.91 FDPS (0.38) FDPSTSHRGAAMAPTDAO
SCHEMBL17305901 0.91 FDPS (0.38) FDPSTSHRGAAMAPTDAO
SCHEMBL7587812 0.91 FDPS (0.38) FDPSTSHRGAAMAPTDAO
SCHEMBL1332399 0.83 CHRNA7 (0.37) FDPSTSHRALDH1A1AURKAL3MBTL1
SCHEMBL28157738 0.83 FDPS (0.36) FDPSTSHRGAAMAPTDAO
SCHEMBL31682404 0.82 HTT (0.41) FDPSGAAMAPTALDH1A1
SCHEMBL13368 0.81 DAO (0.40) FDPSALDH1A1DAOL3MBTL1TDP1
SCHEMBL6204930 0.80 SIGMAR1 (0.35) FDPSTSHRALDH1A1DAOL3MBTL1
SCHEMBL12844 0.79 DAO (0.39) ALDH1A1DAOL3MBTL1TDP1HRH3
SCHEMBL28809918 0.79 DAO (0.39) ALDH1A1DAOL3MBTL1TDP1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728829-A MULTISTAGE REACTION OF N-PROTECTED BENZOTRIAZOLYL GLYCINE DERIVATIVE WITH AMINOKETONE, THEN REACTION WITH AMMONIA AND ACID CATALYZED CYCLIZATION FERRING-RESEARCH LIMITED (GB) 1998-03-17 US disclosed
US-5631264-A NEUROLOGICAL DISORDERS SANOFI WINTHROP, INC. (US) 1997-05-20 US disclosed
US-5604224-A NEURODEGENERATIVE DISORDERS STERLING WINTHROP INC. (US) 1997-02-18 US disclosed
US-5569655-A Substituted heterocyclylisoquinolinium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1996-10-29 US disclosed
US-5554620-A Substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizinium salts and compositions and methods of use thereof STERLING WINTHROP INC. (US) 1996-09-10 US disclosed
EP-0656359-A1 Substituted 6,11-ethano-6,11-dihydrobenzo[b]quinolizinium salts and compositionsand methods of use thereof STERLING WINTHROP INC. (US) 1995-06-07 EP disclosed
EP-0647641-A1 Substituted heterocyclylisoquinolinium salts and compositions and methods of usethereof STERLING WINTHROP INC. (US) 1995-04-12 EP disclosed
WO-1995006040-A1 BENZODIAZEPINE COMPOUNDS USEFUL AS ANTAGONISTS OF CCK OR OF GASTRINE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-02 WO disclosed
US-5234937-A 3,5-di-tertiary-butyl-4-hydroxphenyl oxazolyl methanones and related compounds as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-08-10 US disclosed
US-5234939-A 3,5-di-tertiary-butyl-4-hydroxyphenyl imidazolyl methanones and related compounds as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-08-10 US disclosed
US-5187175-A 2-carbonyl substituted-5-hydroxy-1, 3-pyrimidines as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1993-02-16 US disclosed
US-5086064-A Inhibitor of 5-lipoxygenase, cycloxygenanse and/or both WARNER-LAMBERT COMPANY (US) 1992-02-04 US disclosed
EP-0449223-A1 3,5-di-tertiary-butyl-4-hydroxyphenyl thiazolyl, oxa-zolyl, and imidazolyl methanones and related compounds as antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1991-10-02 EP disclosed