SCHEMBL856041

SCHEMBL856041

N=C1NCCN1C[C]=O

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL9889349 0.73
SCHEMBL13248108 0.72
SCHEMBL1710152 0.72 ALDH1A1 (0.31)
Bromide SCHEMBL31141387 0.71
Bromide SCHEMBL31141398 0.71
Cyclocreatine SCHEMBL450343 0.71 CYP2D6 (0.39)
SCHEMBL12647102 0.70
SCHEMBL14537232 0.69 BDKRB2 (0.33)
Cyclocreatine SCHEMBL11796002 0.69 CYP2D6 (0.38)
SCHEMBL19719147 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1642588-A2 Mimetics of interleukin-8 and methods of using them in the prevention, treatment, diagnosis, and ameliorization of symptoms of a disease Chemokine Therapeutics Corporation (CA) 2006-04-05 EP claimed
US-20240218034-A1 MACROCYCLIC MODULATORS OF DISEASE ASSOCIATED PROTEIN MISFOLDING AND AGGREGATION RESQ BIOTECH (GR) 2024-07-04 US disclosed
US-11858974-B2 Macrocyclic modulators of disease associated protein misfolding and aggregation RESQ BIOTECH (GR) 2024-01-02 US disclosed
EP-4218784-A2 MACROCYCLIC MODULATORS OF DISEASE ASSOCIATED PROTEIN MISFOLDING AND AGGREGATION National Hellenic Research Foundation (GR) 2023-08-02 EP disclosed
US-20200140506-A1 MACROCYCLIC MODULATORS OF DISEASE ASSOCIATED PROTEIN MISFOLDING AND AGGREGATION NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2020-05-07 US disclosed
EP-3630153-A2 MACROCYCLIC MODULATORS OF DISEASE ASSOCIATED PROTEIN MISFOLDING AND AGGREGATION National Hellenic Research Foundation (GR) 2020-04-08 EP disclosed
WO-2018215831-A2 MACROCYCLIC MODULATORS OF DISEASE ASSOCIATED PROTEIN MISFOLDING AND AGGREGATION NATIONAL HELLENIC RESEARCH FOUNDATION (GR) 2018-11-29 WO disclosed
US-9290751-B2 LPL variant therapeutics Hayden, Michael R. (CA) 2016-03-22 US disclosed
US-20150030581-A1 LPL VARIANT THERAPEUTICS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2015-01-29 US disclosed
US-8268778-B2 Flavivirus NS5A proteins for the treatment of HIV UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
WO-2000052048-A1 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 2000-09-08 WO disclosed
WO-2000009152-A1 THERAPEUTIC CHEMOKINE RECEPTOR ANTAGONISTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2000-02-24 WO disclosed
US-5985242-A PEPTIDE OF 3 TO 5 D-AMINO ACIDS; MAY BE MODIFIED AT AMINO-AND/OR CARBOXY TERMINUS; FOR TREATMENT OF AMYLOIDOSIS, ALZHEIMER'S DISEASE PRAECIS PHARMACEUTICALS, INC. (US) 1999-11-16 US disclosed
WO-1999047158-A2 THERAPEUTIC CHEMOKINE RECEPTOR ANTAGONISTS THE UNIVERSITY OF BRITISH COLUMBIA (CA) 1999-09-23 WO disclosed
EP-0929574-A1 MODULATORS OF beta-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS Praecis Pharmaceuticals Incorporated (US) 1999-07-21 EP disclosed
US-5854204-A Aβ peptides that modulate β-amyloid aggregation PRAECIS PHARMACEUTICALS, INC. (US) 1998-12-29 US disclosed
WO-1998008868-A9 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS 1998-05-28 WO disclosed
WO-1998008868-A1 MODULATORS OF β-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARMACEUTICALS INCORPORATED (US) 1998-03-05 WO disclosed
EP-0815134-A1 MODULATORS OF AMYLOID AGGREGATION Praecis Pharmaceuticals Incorporated (US) 1998-01-07 EP disclosed
WO-1996028471-A1 MODULATORS OF AMYLOID AGGREGATION PRAECIS PHARMACEUTICALS INCORPORATED (US) 1996-09-19 WO disclosed