SCHEMBL3540715

SCHEMBL3540715

N[C@@H]1C=C[C@H](OC=O)C1

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
SCHEMBL2942948 1.00
Hydrochloric Acid SCHEMBL11164491 0.98
SCHEMBL18891328 0.70
SCHEMBL6014488 0.69
SCHEMBL7092335 0.67 ABAT (0.39)
SCHEMBL2909738 0.67 ABAT (0.39)
SCHEMBL6822256 0.67 ABAT (0.39)
SCHEMBL3391091 0.65
SCHEMBL262551 0.65
SCHEMBL3391829 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786305-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. (US) 2010-08-31 US disclosed
US-7557120-B2 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2009-07-07 US disclosed
EP-1501803-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-08-13 EP disclosed
US-7393844-B2 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-07-01 US disclosed
EP-1501507-B1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2008-05-28 EP disclosed
US-20070299104-A1 Tetrahydropyranyl Cyclopentyl 1-Substituted and 1,1-Disubstituted Tetrahydroisoquinoline Modulators of Chemokine Receptor Activity MERCK & CO., INC. (US) 2007-12-27 US disclosed
US-20070155731-A1 Aminocyclopentyl pyridopyrazinone modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-07-05 US disclosed
US-7230008-B2 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK & CO, INC. (US) 2007-06-12 US disclosed
US-7166614-B2 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-23 US disclosed
US-20070004714-A1 Aminocyclopentyl fused heterotricylicamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2007-01-04 US disclosed
US-20060178363-A1 Tetrahydropyranyl cyclopentyl heterocyclic amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-08-10 US disclosed
US-20060089379-A1 Tetrahydropyranyl cyclopentyl tetrahydroisoquinoline modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-04-27 US disclosed
US-20060030582-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity DEMARTINO JULIE 2006-02-09 US disclosed
US-20050101628-A1 Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity MERCK SHARP & DOHME LLC 2005-05-12 US disclosed
US-6812234-B2 CCR-2; INFLAMMATORY, IMMUNOREGULATORY, ALLERGIC, AND AUTOIMMUNE DISORDERS AND DISEASES MERCK & CO., INC. 2004-11-02 US disclosed
US-20040167156-A1 TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK SHARP & DOHME LLC 2004-08-26 US disclosed
EP-1296938-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE Pfizer Limited (GB) 2003-04-02 EP disclosed
US-20020052370-A1 Cyclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER, INC. 2002-05-02 US disclosed
WO-2002002513-A1 CYCLOPENTYL-SUBSTITUTED GLUTARAMIDE DERIVATIVES AS INHIBITORS OF NEUTRAL ENDOPEPTIDASE PFIZER LIMITED (GB) 2002-01-10 WO disclosed