SCHEMBL1678728

SCHEMBL1678728

C1CC1CNC1CC1

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
SCHEMBL1678693 0.88 KDM4E (0.42)
SCHEMBL1678793 0.88 ADH1B (0.42)
SCHEMBL1679210 0.88
SCHEMBL1679234 0.88
SCHEMBL23906651 0.87 IRAK4 (0.36)
SCHEMBL13439202 0.87 TDP1 (0.34)
SCHEMBL22813553 0.87 IRAK4 (0.36)
SCHEMBL19406793 0.87 HTT (0.36)
SCHEMBL19406900 0.87 IRAK4 (0.36)
SCHEMBL11935460 0.87 TDP1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP claimed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP claimed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US claimed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP claimed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP claimed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO claimed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO claimed
CN-120192276-A Phenyl amide derivative and preparation and application thereof 顺毅股份有限公司 2025-06-24 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
WO-2008124148-A2 SULFUR COMPOUNDS AS INHIIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE SCHERING CORPORATION (US) 2008-10-16 WO disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1093367-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2003-03-05 EP disclosed
EP-1019046-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM (US) 2002-11-27 EP disclosed
US-20020049316-A1 Protease inhibitors HALBERT STACIE MARIE (US) 2002-04-25 US disclosed
EP-1093367-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2001-04-25 EP disclosed
EP-1019046-A1 PROTEASE INHIBITORS Smithkline Beecham (US) 2000-07-19 EP disclosed
WO-1999066925-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1999-12-29 WO disclosed
WO-1998048799-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-05 WO disclosed