SCHEMBL647789

SCHEMBL647789

C1=CC2CCC[N]C2C=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
SCHEMBL9048349 0.85
SCHEMBL831131 0.67 ALDH1A1 (0.32)
SCHEMBL14534464 0.67
SCHEMBL122550 0.64 ALDH1A1 (0.37)
SCHEMBL15467307 0.64 ALDH1A1 (0.37)
SCHEMBL16924649 0.60
SCHEMBL1054620 0.59
SCHEMBL9049620 0.59
SCHEMBL9049618 0.59
SCHEMBL9049614 0.59

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2035376-B1 INDOLINE AMIDE DERIVATIVES AS EP4 RECEPTOR LIGANDS MERCK CANADA INC (CA) 2014-08-27 EP claimed
EP-2600874-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE Amgen, Inc (US) 2013-06-12 EP claimed
US-8168649-B2 Niacin receptor agonists, compositions containing such compounds and methods of treatment Merk Sharp & Dohme Corp. (US) 2012-05-01 US claimed
WO-2011143033-A1 PYRIMIDINE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE AMGEN INC. (US) 2011-11-17 WO claimed
EP-1901731-B1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2011-03-02 EP claimed
US-20100144778-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME LLC 2010-06-10 US claimed
US-7705035-B2 Indoline amide derivatives as EP4 receptor ligands MERCK FROSST CANADA LTD. (CA) 2010-04-27 US claimed
US-20090062269-A1 Niacin Receptor Agonists, Compositions Containing Such Compounds and Methods of Treatment MERCK SHARP & DOHME CORP. 2009-03-05 US claimed
EP-1983993-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-10-29 EP claimed
EP-1901731-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2008-03-26 EP claimed
WO-2007092364-A2 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-08-16 WO claimed
WO-2007002557-A1 NIACIN RECEPTOR AGONISTS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 2007-01-04 WO claimed
US-20060293364-A1 Niacin receptor agonists, compositions containing such compounds and methods of treatment MERCK & CO., INC. 2006-12-28 US claimed
WO-2024146541-A1 MACROCYCLIC COMPOUNDS AS USP1 INHIBITORS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2024-07-11 WO disclosed
WO-2023160569-A9 CARBOXAMIDE COMPOUNDS AS PGE2 RECEPTOR ANTAGONISTS GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2024-03-07 WO disclosed
WO-2024022266-A1 HETEROARYL COMPOUNDS AS INHIBITORS OF USP1 GUANGDONG NEWOPP BIOPHARMACEUTICALS CO., LTD. (CN) 2024-02-01 WO disclosed
WO-1999020272-A1 AZAPEPTIDE ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-04-29 WO disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
WO-1998053817-A1 BIARYLALKANOIC ACIDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
WO-1998053818-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed