SCHEMBL1006699

SCHEMBL1006699

COc1cc(C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCCCN)cc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 5/20 0.47
DPP7 Q9UHL4 5/20 0.43
DPP4 P27487 3/20 0.43
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NTMT1 Q9BV86 1/20 0.41
F12 P00748 3/20 0.41
P2RY12 Q9H244 1/20 0.40
DPP9 Q86TI2 2/20 0.40
FAP Q12884 1/20 0.40
F2 P00734 1/20 0.40
NTSR2 O95665 1/20 0.40
NTSR1 P30989 1/20 0.40
SORT1 Q99523 1/20 0.40
ACE P12821 2/20 0.40

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
SCHEMBL9489213 0.87 ALDH1A1 (0.48) DPP8DPP7DPP4OPRM1OPRD1
SCHEMBL9489209 0.87 ALDH1A1 (0.48) DPP8DPP7DPP4OPRM1OPRD1
SCHEMBL7610256 0.84 ALDH1A1 (0.42) DPP8DPP7DPP4FAPACE
Hydrochloric Acid SCHEMBL3847558 0.83 ALDH1A1 (0.42) DPP8DPP7DPP4FAPACE
SCHEMBL7267315 0.76 DPP4 (0.43) DPP8DPP4
SCHEMBL7777173 0.74 DPP8 (0.48) DPP8DPP7DPP4OPRM1OPRD1
SCHEMBL9490722 0.74 DPP8 (0.54) DPP8DPP7DPP4NTMT1DPP9
SCHEMBL7041303 0.70 PREP (0.45) DPP7DPP4F2
SCHEMBL4889705 0.69 ALDH1A1 (0.55)
SCHEMBL7413474 0.68 DPP4 (0.47) DPP8DPP7DPP4OPRM1DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1121600-B2 METHOD AND SUBSTANCES FOR DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS BRAHMS AG (DE) 2014-06-25 EP disclosed
US-7998686-B2 Method for determining sepsis using pro-BNP B.R.A.H.M.S. GMBH (DE) 2011-08-16 US disclosed
US-7972799-B2 Method for determining sepsis using pro-ADM B.R.A.H.M.S. GMBH (DE) 2011-07-05 US disclosed
US-20110008812-A1 METHODS AND SUBSTANCES FOR THE DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS B.R.A.H.M.S. GMBH (DE) 2011-01-13 US disclosed
EP-2028493-B1 Procalcitonin 3-116 BRAHMS AG (DE) 2010-07-28 EP disclosed
US-7723492-B2 Method for the detection of sepsis using procalcitonin-3-116 B.R.A.H.M.S. AKTIENGESELLSCHAFT (DE) 2010-05-25 US disclosed
US-20090233311-A1 METHODS AND SUBSTANCES FOR THE DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS B.R.A.H.M.S. GMBH (DE) 2009-09-17 US disclosed
US-20090215076-A1 Methods and substances for the diagnosis and therapy of sepsis and sepsis-like systemic infections B.R.A.H.M.S. GMBH (DE) 2009-08-27 US disclosed
US-20090098571-A1 METHODS AND SUBSTANCES FOR THE DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS B.R.A.H.M.S. GMBH (DE) 2009-04-16 US disclosed
US-7498139-B2 Method for determining sepsis using pro-ANF B.R.A.H.M.S. AKTIENGESELLSCHAFT (DE) 2009-03-03 US disclosed
EP-1770397-A1 Procalcitonin 3-116 B.R.A.H.M.S. Aktiengesellschaft (DE) 2007-04-04 EP disclosed
EP-1408334-B1 Procalcitonin 3-116 BRAHMS AG (DE) 2006-12-20 EP disclosed
EP-1121600-B1 METHOD AND SUBSTANCES FOR DIAGNOSIS AND THERAPY OF SEPSIS AND SEPSIS-LIKE SYSTEMIC INFECTIONS BRAHMS AG (DE) 2006-03-15 EP disclosed
US-20040180396-A1 Method and substances for diagnosis and therapy of sepsis and sepsis-like systemic infections B.R.A.H.M.S AKTIENGESELLSCHAFT (DE) 2004-09-16 US disclosed
US-6756483-B1 USING RECOMBINANT PROCALCITONIN IN THE DIAGNOSIS AND THERAPY OF SEPTIC DISEASES AND THE MEASUREMENT OF PROHORMONES OTHER THAN PROCALCITONIN, AND OF DIPEPTIDYL PEPTIDASE IV, AS BIOMARKERS IN THE DIAGNOSIS OF SEPSIS B.R.A.H.M.S AKTIENGESELLSCHAFT (DE) 2004-06-29 US disclosed
EP-1408334-A1 Procalcitonin 3-116 B.R.A.H.M.S. Aktiengesellschaft (DE) 2004-04-14 EP disclosed
EP-0821689-B1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN INC (US) 2001-07-04 EP disclosed
EP-0821689-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS Drug Innovation & Design, Inc. (US) 1998-02-04 EP disclosed
US-5659061-A Tumor protease activated prodrugs of phosphoramide mustard analogs with toxification and detoxification functionalities DRUG INNOVATION & DESIGN, INC. (US) 1997-08-19 US disclosed
WO-1996033198-A1 TUMOR PROTEASE ACTIVATED PRODRUGS OF PHOSPHORAMIDE MUSTARD ANALOGS DRUG INNOVATION & DESIGN, INC. (US) 1996-10-24 WO disclosed