SCHEMBL394677

SCHEMBL394677

CC1=C(C(=O)O)[C@@H](c2ccc(C#N)cc2)NC(=O)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.85

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 19/20 0.85
CYP2C9 P11712 6/20 0.85
ADRB1 P08588 1/20 0.65
HTR1A P08908 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65
CYP3A4 P08684 1/20 0.64
CYP2C8 P10632 1/20 0.60
CYP2C19 P33261 1/20 0.60

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
SCHEMBL4449580 1.00 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL394085 1.00 ELANE (0.85) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL391816 0.92 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL395186 0.92 ELANE (1.00) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL1245247 0.91 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8347976 0.91 ELANE (0.84) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL8347972 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL5107526 0.91 ELANE (0.80) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL2679151 0.90 ELANE (0.70) ELANECYP2C9ADRB1HTR1AHRH3
SCHEMBL18204106 0.90 ELANE (0.70) ELANECYP2C9ADRB1HTR1AHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580800-B2 1,4-diaryl-pyrimidopyridazine-2,5-diones and their use BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-11-12 US disclosed
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
EP-1730121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER IP GMBH (DE) 2013-08-07 EP disclosed
EP-2285809-B1 1,4-DIARYL-PYRIMIDOPYRIDAZINE-2,5-DIONES AND THEIR USE BAYER IP GMBH (DE) 2013-03-27 EP disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
US-8343987-B2 Heterocyclic derivatives BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-01 US disclosed
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
EP-1723121-B1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer Pharma AG (DE) 2012-07-25 EP disclosed
US-8101615-B2 Chronic obstructive pulmonary diseases, acute coronary syndrome, acute myocardial infarction, heart failure BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-01-24 US disclosed
EP-1828233-A2 CRYSTAL STRUCTURE OF ENZYME AND USES THEREOF Bayer HealthCare AG (DE) 2007-09-05 EP disclosed
WO-2006136857-A1 DIHYDROPYRIMIDONE MULTIMERS AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-12-28 WO disclosed
EP-1730121-A2 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-12-13 EP disclosed
EP-1723121-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS Bayer HealthCare AG (DE) 2006-11-22 EP disclosed
WO-2006082412-A2 MULTIMERS OF PYRIMIDINONE DERIVATIVES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS ARGENTA DISCOVERY LIMITED (GB) 2006-08-10 WO disclosed
WO-2006063792-A2 CRYSTAL STRUCTURE OF ENZYME AND USES THEREOF BAYER HEALTHCARE AG (DE) 2006-06-22 WO disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
WO-2005082864-A1 1,4-DIARYL-DIHYDROPYRIMIDIN-2-ONES AND THEIR USE AS HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed
WO-2005082863-A2 1,4 DIARYL-DIHYDROPYRIMIDIN-2 ONES AND THEIR USE AS A HUMAN NEUTROPHIL ELASTASE INHIBITORS BAYER HEALTHCARE AG (DE) 2005-09-09 WO disclosed