SCHEMBL163406

SCHEMBL163406

NCCCCNCC(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.65
MAOB P27338 1/20 0.65
CYP2D6 P10635 1/20 0.54
NFKB1 P19838 1/20 0.54
ALOX15 P16050 3/20 0.52
CYP1A2 P05177 3/20 0.52
TSHR P16473 2/20 0.52
CA12 O43570 2/20 0.52
F13A1 P00488 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA6 P23280 2/20 0.52
CA5A P35218 2/20 0.52
THPO P40225 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52

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
SCHEMBL11113096 0.98 MAOA (0.63) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL288829 0.98 MAOA (0.69) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL181523 0.98 MAOA (0.69) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL7700013 0.96 MAOA (0.67) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL93783 0.93
SCHEMBL7984820 0.91 CYP1A2 (0.56) MAOAMAOBCYP2D6NFKB1ALOX15
Hydrochloric Acid SCHEMBL16227633 0.91 MAOA (0.54) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL28831589 0.91 MAOA (0.54) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL6804776 0.88 CYP1A2 (0.52) MAOAMAOBCYP2D6NFKB1ALOX15
SCHEMBL21492932 0.88 MAOA (0.58) MAOAMAOBCYP2D6NFKB1ALOX15

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 2539 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250339569-A1 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2025-11-06 US claimed
WO-2025038979-A1 COMPOSITIONS AND METHODS FOR PROPHYLAXIS AND/OR TREATMENT OF AMYLOID B PEPTIDE PROTEINOPENIA IN ALZHEIMER'S AND OTHER DISEASES LVIS-Regain LP (US) 2025-02-20 WO claimed
EP-4448544-A2 CARBONIC ANHYDRASE IX LIGANDS 3B Pharmaceuticals GmbH (DE) 2024-10-23 EP claimed
WO-2023111350-A2 CARBONIC ANHYDRASE IX LIGANDS 3B PHARMACEUTICALS GMBH (DE) 2023-06-22 WO claimed
US-11225502-B1 Controlled synthesis of hierarchically-structured hybrid materials through peptoid engineering BATTELLE MEMORIAL INSTITUTE (US) 2022-01-18 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-20080233137-A1 Compounds that Block the C5a Receptor and Their Use in Therapy ALLIGATOR BIOSCIENCE AB (SE) 2008-09-25 US claimed
WO-2008110695-A1 NOVEL MULTIMERIC MOLECULES, METHOD FOR PREPARING SAME AND USE THEREOF IN THE PREPARATION OF DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2008-09-18 WO claimed
EP-1828240-A2 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS The Centre National de la Recherche Scientifique (FR) 2007-09-05 EP 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
US-7070969-B1 Plasmin inhibitors from the australian brown snake Pseudonaja textilis textilis THE UNIVERSITY OF QUEENSLAND (AU) 2006-07-04 US claimed
WO-2006064133-A2 NOVEL MULTIMERIC CD40 LIGANDS, METHOD FOR PREPARING SAME AND USE THEREOF FOR PREPARING DRUGS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-06-22 WO 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