SCHEMBL161105

SCHEMBL161105

NC(=O)CCNCC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
LMNA P02545 4/20 0.38
EGLN1 Q9GZT9 2/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
KDM4E B2RXH2 2/20 0.37
KDM5C P41229 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
ECE1 P42892 1/20 0.36
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
BLM P54132 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP1A2 P05177 2/20 0.35
TSHR P16473 2/20 0.35
GABRR1 P24046 2/20 0.35
GABRR3 A8MPY1 1/20 0.35

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
Glycine SCHEMBL27726931 0.93 GLRA1 (0.43) MAOAMAOBLMNAEGLN1ALKBH5
SCHEMBL288952 0.88 MAOA (0.48) MAOAMAOBLMNAEGLN1ALKBH5
SCHEMBL22344277 0.86 MAOA (0.52) MAOAMAOBLMNASLC22A6BLM
SCHEMBL6755803 0.85 MAOA (0.50) MAOAMAOBLMNAEGLN1ALKBH5
SCHEMBL158810 0.84 LMNA (0.47) LMNAEGLN1ALKBH5SUCNR1KDM4E
SCHEMBL19214871 0.82 MAOA (0.52) MAOAMAOBCA1CA2
SCHEMBL8186348 0.81 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1KDM4E
Hydrochloric Acid SCHEMBL28658324 0.81 LMNA (0.44) LMNAEGLN1ALKBH5SUCNR1KDM4E
SCHEMBL1806852 0.81 MAOA (0.37) MAOAMAOBLMNAKDM4ECA2
SCHEMBL9134028 0.79

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

Appears in 2089 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-10017481-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2018-07-10 US claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 WO claimed
CN-102573888-A Long acting Y2 receptor agonists NOVO NORDISK AS 2012-07-11 CN claimed
WO-2011058165-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-05-19 WO claimed
WO-2011033068-A1 LONG-ACTING Y2 RECEPTOR AGONISTS NOVO NORDISK A/S (DK) 2011-03-24 WO claimed
WO-2011014973-A2 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2011-02-10 WO claimed
US-20080233137-A1 Compounds that Block the C5a Receptor and Their Use in Therapy ALLIGATOR BIOSCIENCE AB (SE) 2008-09-25 US claimed
US-7256172-B1 Method of treatment and agents useful for same THE UNIVERSITY OF MELBOURNE (AU) 2007-08-14 US claimed
EP-1737886-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY Alligator Bioscience AB (publ) (SE) 2007-01-03 EP claimed
WO-2005100385-A2 COMPOUNDS THAT BLOCK THE C5A RECEPTOR AND THEIR USE IN THERAPY ALLIGATOR BIOSCIENCE AB (PUBL) (SE) 2005-10-27 WO claimed
EP-1586583-A2 Compounds that block C5a complement receptor and their use in therapy Alligator Bioscience AB (publ) (SE) 2005-10-19 EP claimed
WO-2003006048-A1 COMBINATION OF CHIPS (CHEMOTAXIS INHIBITING PROTEIN FROM STAPHYLOCOCCUS AUREUS)-BASED COMPOUNDS JARI PHARMACEUTICALS B.V. (NL) 2003-01-23 WO claimed