SCHEMBL87779

SCHEMBL87779

NCC=Cn1ccnc1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL17278171 0.86 TBXAS1 (0.31)
SCHEMBL361354 0.81 TBXAS1 (0.31)
SCHEMBL4365358 0.78
SCHEMBL4326682 0.78
SCHEMBL6158210 0.78
SCHEMBL28241548 0.78
Hydrochloric Acid SCHEMBL28305955 0.77 NFKB1 (0.34)
Bromide SCHEMBL29033775 0.73
SCHEMBL28815575 0.73 LMNA (0.33)
Allylamine SCHEMBL4925394 0.72 ALDH1A1 (0.38)

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2082041-B1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2018-03-14 EP disclosed
EP-2635675-B1 CRYSTAL STRUCTURE OF ISOGLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2016-01-06 EP disclosed
EP-2606129-B1 CRYSTAL STRUCTURE OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-03-25 EP disclosed
US-8859250-B2 Crystal structure of glutaminyl cyclase PROBIODRUG AG (DE) 2014-10-14 US disclosed
US-8809010-B2 Method for prophylactic treatment of alzheimer's disease using inhibitors of glutaminyl cyclase and glutamate cyclases PROBIODRUG AG (DE) 2014-08-19 US disclosed
US-8741614-B2 Crystal structure of isoglutaminyl cyclase PROBIODRUG AG (DE) 2014-06-03 US disclosed
US-8647834-B2 Screening method for enzyme inhibitors PROBIODRUG AG (DE) 2014-02-11 US disclosed
US-20130217090-A1 CRYSTAL STRUCTURE OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2013-08-22 US disclosed
EP-2606129-A1 CRYSTAL STRUCTURE OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2013-06-26 EP disclosed
EP-2581449-A2 Novel genes related to glutaminyl cyclase Probiodrug AG (DE) 2013-04-17 EP disclosed
US-20090018087-A1 Novel Inhibitors of Glutaminyl Cyclase PROBIODRUG AG (DE) 2009-01-15 US disclosed
US-20080249083-A1 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-10-09 US disclosed
WO-2008104580-A1 NEW USE OF GLUTAMINYL CYCLASE INHIBITORS PROBIODRUG AG (DE) 2008-09-04 WO disclosed
WO-2008034891-A2 NOVEL GENES RELATED TO GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-03-27 WO disclosed
US-7304086-B2 Inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-12-04 US disclosed
US-20070191366-A1 USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES PROBIODRUG AG (DE) 2007-08-16 US disclosed
CN-1918131-A Novel inhibitors of glutaminyl cyclase PROBIODRUG AG (DE) 2007-02-21 CN disclosed
EP-1713780-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE Probiodrug AG (DE) 2006-10-25 EP disclosed
US-20050215573-A1 Novel inhibitors of glutaminyl cyclase PROBIODRUG AG 2005-09-29 US disclosed
WO-2005075436-A2 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2005-08-18 WO disclosed