SCHEMBL793739

SCHEMBL793739

CC(C)(C)C(CCCN)NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 7/20 0.46
GSR P00390 1/20 0.44
RNPEP Q9H4A4 1/20 0.42
FOLH1 Q04609 1/20 0.41
GABRR1 P24046 2/20 0.38
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
BLM P54132 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PLG P00747 1/20 0.34
LMNA P02545 1/20 0.34
THRB P10828 1/20 0.34
ALOX15 P16050 1/20 0.34
SLC6A2 P23975 1/20 0.34
RECQL P46063 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2400833 0.96 GSR (0.48) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL657408 0.88 GABRR1 (0.45) CPB2GSRRNPEPFOLH1GABRR1
Hydrochloric Acid SCHEMBL1026854 0.86 GABRR1 (0.43) CPB2GSRRNPEPFOLH1GABRR1
SCHEMBL29029802 0.82 CA2 (0.50)
SCHEMBL4070665 0.82 MMP1 (0.34) MEN1SLC6A3KMT2A
SCHEMBL28449984 0.81 GSR (0.39) CPB2GSRRNPEPFOLH1PAOX
SCHEMBL3647951 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL9995723 0.81 MMP3 (0.39) CPB2GSRMEN1KMT2A
SCHEMBL333214 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL793417 0.79 GABRR1 (0.33) CPB2GSRRNPEPFOLH1GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2699550-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
EP-2699551-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
EP-2699573-A2 7-(3,5-DIMETHYL-4-ISOXAZOLYL)-8-(METHYLOXY)-1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES Glaxosmithkline LLC (US) 2014-02-26 EP disclosed
EP-2585465-A1 BENZOTRIAZOLODIAZEPINE COMPOUNDS INHIBITORS OF BROMODOMAINS GlaxoSmithKline LLC (US) 2013-05-01 EP disclosed
WO-2012143416-A2 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
WO-2012143413-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
WO-2012143415-A1 TETRAHYDROQUINOLINE DERIVATIVES USEFUL AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2012-10-26 WO disclosed
EP-2496580-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
EP-2496581-A1 CONDENSED AZEPINE DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
EP-2496558-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GlaxoSmithKline LLC (US) 2012-09-12 EP disclosed
WO-2011054843-A1 BROMODOMAIN INHIBITORS FOR TREATING AUTOIMMUNE AND INFLAMMATORY DISEASES GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054848-A1 THETRAHYDROQUINOLINES DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054553-A1 BENZODIAZEPINE BROMODOMAIN INHIBITOR GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
WO-2011054846-A1 IMIDAZO [4, 5-C] QUINOLINE DERIVATES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-05-12 WO disclosed
EP-1653961-A4 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
EP-1940785-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007030761-A2 ACYCLIC 1,4-DIAMINES AND USES THEREOF SMITHKLINE BEECHAM CORPORATION (US) 2007-03-15 WO disclosed
EP-1653961-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-10 EP disclosed
WO-2005033129-A1 ANTIBACTERIAL AMIDE MACROCYCLES BAYER HEALTHCARE AG (DE) 2005-04-14 WO disclosed
WO-2005011700-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 WO disclosed