SCHEMBL5597616

SCHEMBL5597616

N=C(N)NCCCC([C]=O)NC(=O)C1CCCN1C(=O)C(N)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.49
▸ OPRD1 P41143 2/20 0.49
▸ F2 P00734 1/20 0.49
▸ OPRK1 P41145 1/20 0.49
▸ DPP4 P27487 2/20 0.48
▸ DPP8 Q6V1X1 2/20 0.48
▸ DPP9 Q86TI2 2/20 0.48
▸ DPP7 Q9UHL4 2/20 0.48
▸ FAP Q12884 1/20 0.46

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
SCHEMBL5597620 1.00 OPRM1 (0.49) OPRM1OPRD1F2OPRK1DPP4
SCHEMBL7418654 1.00 OPRM1 (0.49) OPRM1OPRD1F2OPRK1DPP4
SCHEMBL2192304 1.00 OPRM1 (0.49) OPRM1OPRD1F2OPRK1DPP4
SCHEMBL2182404 0.97 F2 (0.47) OPRM1OPRD1F2OPRK1DPP4
SCHEMBL7207928 0.90 OPRM1 (0.51) OPRM1F2OPRK1
SCHEMBL2193283 0.89 OPRM1 (0.48) OPRM1OPRD1OPRK1
SCHEMBL9280512 0.89 XIAP (0.48) OPRM1F2OPRK1
SCHEMBL6497247 0.88 F2 (0.57) OPRM1OPRD1F2OPRK1
SCHEMBL2778546 0.88 F2 (0.57) OPRM1OPRD1F2OPRK1
SCHEMBL6850160 0.88 F2 (0.57) OPRM1OPRD1F2OPRK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863768-B1 Covalent heparin-protein conjugates comprising an alpha-carbonyl amine bond and methods of obtaining them UNIV MCMASTER (CA) 2007-01-03 — — EP disclosed
US-7045585-B2 Methods of coating a device using anti-thrombin heparin HAMILTON CIVIC HOSPITAL RESEARCH DEVELOPMENT INC. (CA) 2006-05-16 — — US disclosed
US-20030124705-A1 Glycosaminoglycan-antithrombin III/heparin cofactor II conjugates MCMASTER UNIVERSITY (CA) 2003-07-03 — — US disclosed
US-20030113314-A1 Heparin directly linked to antithrombin III by a covalent linkage comprises atleast one primary amino group, via a linkage between primary amino group of antithrombin III and terminal residue of heparin; anticoagulant; prosthetics HAMILTON CIVIC HOSPITALS RES DEV., INC. (CA) 2003-06-19 — — US disclosed
US-20030100487-A1 For prophylaxis and therapy of thrombogenesis in lung airways, such as found in infant and adult respiratory distress syndrome HAMILTON CIVIC HOSPITALS RES DEV., INC. (CA) 2003-05-29 — — US disclosed
US-6562781-B1 Covalent conjugate composition comprising glycosaminoglycans linked by covalent linkages to a species comprising at least one primary amino group HAMILTON CIVIC HOSPITALS RESEARCH DEVELOPMENT INC. (CA) 2003-05-13 — — US disclosed
US-6491965-B1 COVALENT LINKAGES COMPRISING AN ALPHA CARBONYL AMINE FORMED BY A AMADORI REARRANGEMENT OF AN IMINE RESULTING FROM REACTION BETWEEN SAID AMINO GROUP OF ANTITHROMBIN AND TERMINAL ALDOSE RESIDUE OF HEPARIN HAMILTON CIVIC HOSPITALS RESEARCH DEVELOPMENT, INC. (CA) 2002-12-10 — — US disclosed
EP-0863768-A2 GLYCOSAMINOGLYCAN-ANTITHROMBIN III/HEPARIN COFACTOR II CONJUGATES HAMILTON CIVIC HOSPITALS RESEARCH DEVELOPMENT, INC. (CA) 1998-09-16 — — EP disclosed
WO-1997019701-A2 GLYCOSAMINOGLYCAN-ANTITHROMBIN III/HEPARIN COFACTOR II CONJUGATES HAMILTON CIVIC HOSPITALS RESEARCH DEVELOPMENT, INC. (CA) 1997-06-05 — — WO disclosed
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