SCHEMBL4043828

SCHEMBL4043828

CC(C)(C)OC(=O)N1CCn2c(c(C#N)c(C#N)c2C(F)(F)F)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.41
LIPG Q9Y5X9 1/20 0.38
MAPT P10636 3/20 0.37
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 6/20 0.35
ESR2 Q92731 1/20 0.35
USP2 O75604 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CTSK P43235 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC4 P56524 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
SCHEMBL4038417 0.88 NR1H2 (0.38) NR1H2LIPGMAPTKCNH2
SCHEMBL4047164 0.80 CSNK1E (0.41) NR1H2MAPTGPR119ALDH1A1MAPK1
SCHEMBL4036501 0.75 USP2 (0.41) NR1H2MAPTGPR119USP2SMN1; SMN2
SCHEMBL4039181 0.74 CSNK1E (0.39) NR1H2MAPTGPR119USP2SMN1; SMN2
SCHEMBL14841535 0.74 KCNH2 (0.39) NR1H2MAPTKCNH2GPR119ALDH1A1
SCHEMBL4041480 0.74 GBA1 (0.49) NR1H2MAPTGPR119ALDH1A1MAPK1
SCHEMBL4038918 0.72 SQOR (0.44) NR1H2MAPTGPR119MAPK1
SCHEMBL4042990 0.72 GPR119 (0.42) NR1H2GPR119
SCHEMBL4039021 0.72 MEN1 (0.41) NR1H2MAPTKCNH2GPR119ESR2
SCHEMBL4041240 0.72 NR1H2 (0.44) NR1H2MAPTGPR119ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101466727-B HCV/HIV inhibitors and uses thereof NOVARTIS AG 2012-10-17 CN claimed
CN-101160301-B Aminoalkyl-amidomethyl-substituted 2- (4-sulfonylamino) -3-hydroxy-3, 4-dihydro-2H-chromen-6-yl derivatives and their use as potassium channel blockers SOLVAY PHARM BV 2012-03-28 CN claimed
CN-1596106-B Use of trifluoroacetyl alkyl-substituted phenyl derivatives, phenol derivatives, and benzoyl derivatives in the treatment and/or prophylaxis of obesity and complications and/or sequelas SOLVAY PHARM BV 2011-05-11 CN claimed
CN-101981028-A Substituted piperidines as renin inhibitors NOVARTIS AG 2011-02-23 CN claimed
CN-101939318-A Substituted piperidines as renin inhibitors NOVARTIS AG 2011-01-05 CN claimed
CN-101687875-A Pyrrolopyrimidin-7-one derivatives and their use as pharmaceuticals ASTRAZENECA AB 2010-03-31 CN claimed
CN-101663284-A Macrocyclic compounds as hcv ns3 protease inhibitors NOVARTIS AG 2010-03-03 CN claimed
CN-101541826-A Macrocyclic HCV inhibitors and their uses NOVARTIS AG (CH) 2009-09-23 CN claimed
CN-100506815-C Piperidinyl targeting compounds that selectively bind integrins JANSSEN PHARMACEUTICA NV (BE) 2009-07-01 CN claimed
CN-101466728-A HCV inhibitors comprising beta amino acids and their uses NOVARTIS AG (CH) 2009-06-24 CN claimed
CN-1900080-A Inhibitors of cruzipain and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2007-01-24 CN claimed
CN-1856501-A Amidomethyl substituted 1-(carboxyalkyl)-cyclopentylcarbonylamino-benzazepine-N-acetic acid derivatives, process and intermediate products for their preparation and medicaments containing these compou SOLVAY PHARM GMBH (DE) 2006-11-01 CN claimed
CN-1269822-C Inhibitors of kruenza protease and other cysteine proteases AMURA THERAPEUTICS LTD (GB) 2006-08-16 CN claimed
CN-1688572-A Piperidinyl targeting compounds that selectively bind integrins JANSSEN PHARMACEUTICA NV (BE) 2005-10-26 CN claimed
CN-1681817-A Biologically active compounds AMURA THERAPEUTICS LTD (GB) 2005-10-12 CN claimed
CN-1662487-A Amide linker peroxisome proliferator-activated receptor modulators LILLY CO ELI (US) 2005-08-31 CN claimed
CN-1596106-A Use of trifluoroacetyl alkyl-substituted phenyl derivatives, phenol derivatives, and benzoyl derivatives in the treatment and/or prophylaxis of obesity and accompanying diseases and/or secondary disea SOLVAY PHARM GMBH (DE) 2005-03-16 CN claimed
CN-1582279-A Peroxisome-activated receptor agonists LILLY CO ELI (US) 2005-02-16 CN claimed
CN-1486320-A Inhibitors of kruenza protease and other cysteine proteases ��ķ��ҽ�����޹�˾ 2004-03-31 CN claimed
CN-1479728-A Peroxisome proliferator activated receptor alpha agonists 2004-03-03 CN claimed