SCHEMBL4016026

SCHEMBL4016026

N=C(N)NCCCC(NC(=O)C1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)C(Cl)C(=O)C(Cl)C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)[C@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 2/20 0.51
F2 P00734 2/20 0.49
NPFFR1 Q9GZQ6 2/20 0.48
NPFFR2 Q9Y5X5 2/20 0.48

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
SCHEMBL4198227 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL1664759 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL23256152 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL5056855 1.00 OPRM1 (0.51) OPRM1OPRD1OPRK1F2NPFFR1
Hydrochloric Acid SCHEMBL6681663 0.99 OPRM1 (0.50) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL6601122 0.93 OPRM1 (0.53) OPRM1OPRD1NPFFR1NPFFR2
SCHEMBL4940699 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL8586979 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL2849826 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1
SCHEMBL4709438 0.91 OPRM1 (0.49) OPRM1OPRD1OPRK1F2NPFFR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170037150-A1 MASP-2, A Complement Fixing Enzyme, and Uses for It HELION BIOTECH APS 2017-02-09 US disclosed
US-9441262-B2 MASP-2, a complement fixing enzyme, and uses for it HELION BIOTECH APS (DK) 2016-09-13 US disclosed
US-20140134641-A1 MASP-2, A COMPLEMENT FIXING ENZYME, AND USES FOR IT HELION BIOTECH APS (DK) 2014-05-15 US disclosed
US-8551790-B2 MASP 2, a complement-fixing enzyme, and uses for it HELION BIOTECH APS (DK) 2013-10-08 US disclosed
US-20120219965-A1 MASP 2, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT HELION BIOTECH APS (DK) 2012-08-30 US disclosed
US-20090259019-A1 MASP-2, A COMPLEMENT FIXING ENZYME, AND USES FOR IT OMEROS CORPORATION (US) 2009-10-15 US disclosed
EP-1303591-B1 MASP-2, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT HELION BIOTECH APS (DK) 2009-06-24 EP disclosed
US-20070031420-A1 MASP-2, a complement-fixing enzyme, and uses for it HELION BIOTECH APS (DK) 2007-02-08 US disclosed
US-7112414-B2 Using mannan-binding lectin associated serine protease-2 (MASP-2) for screening enzyme inhibitors which can be used for treatment of infectious and/or inflammatory diseases OMEROS CORPORATION 2006-09-26 US disclosed
US-7083786-B2 MASP-2, a complement-fixing enzyme, and uses for it OMEROS CORPORATION 2006-08-01 US disclosed
US-20040038297-A1 Masp-2,a complement-fixing enzyme, and uses for it OMEROS CORPORATION 2004-02-26 US disclosed
CN-1449440-A MASP-2, a complement fixation enzyme and uses thereof CHRISTIAN JENSENIUS JENS (DK) 2003-10-15 CN disclosed
US-20030186419-A1 Masp-3, a complement-fixing enzyme, and uses for it JENSENIUS JENS CHRISTIAN (DK) 2003-10-02 US disclosed
CN-1433466-A MASP-3, an enzyme for fixing complement, and uses thereof JENSENIUS JENS C (DK) 2003-07-30 CN disclosed
EP-1303591-A2 MASP-2, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT Jensenius, Jens Christian (DK) 2003-04-23 EP disclosed
EP-1238066-A2 MASP-3, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT Jensenius, Jens Christian (DK) 2002-09-11 EP disclosed
US-20020082208-A1 MASP-2, a complement-fixing enzyme, and uses for it OMEROS CORPORATION 2002-06-27 US disclosed
US-20020082209-A1 MASP-2, a complement-fixing enzyme, and uses for it OMEROS CORPORATION 2002-06-27 US disclosed
WO-2002006460-A2 MASP-2, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT JENSENIUS JENS CHRISTIAN (DK) 2002-01-24 WO disclosed
WO-2001040451-A2 MASP-3, A COMPLEMENT-FIXING ENZYME, AND USES FOR IT JENSENIUS JENS CHRISTIAN (DK) 2001-06-07 WO disclosed