SCHEMBL1040378

SCHEMBL1040378

[CH2]NCC(C)(C)C

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
SCHEMBL6718971 0.69
SCHEMBL2074943 0.67
SCHEMBL112567 0.67 TSHR (0.36)
SCHEMBL12744806 0.67 TSHR (0.36)
SCHEMBL3329421 0.65
SCHEMBL1669502 0.65
SCHEMBL1487990 0.65
SCHEMBL23471512 0.64
Fluoride SCHEMBL22032650 0.64 TSHR (0.33)
Hydrochloric Acid SCHEMBL4316309 0.64 TSHR (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612060-B2 Triazoles and methods of use AMGEN INC. (US) 2009-11-03 US claimed
US-20090054460-A1 Piperazine derivatives and methods of use CHEN JIAN J 2009-02-26 US claimed
US-20080249106-A1 3-(1-((R)-7-((4-fluoropiperidin-1-yl)methyl)-3,4-dihydro-2H-chromen-4-yl)-1H-1,2,3-triazol-4-yl)-2-(4-methylphenylsulfonamido)propanoic acid; chronic pain analgesics; side effect reduction AMGEN INC. 2008-10-09 US claimed
US-7414134-B2 B1 bradykinin receptor antagonists AMGEN INC. (US) 2008-08-19 US claimed
US-7393852-B2 Piperazine derivatives and methods of use AMGEN INC. (US) 2008-07-01 US claimed
EP-1656355-B1 PIPERAZINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2008-03-12 EP claimed
EP-1878728-A2 Derivatives of piperazine and higher homologues thereof for the treatment of inflammation-related disorders Amgen Inc. (US) 2008-01-16 EP claimed
EP-1856074-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS Amgen, Inc (US) 2007-11-21 EP claimed
EP-1817306-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-08-15 EP claimed
EP-1802612-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS Amgen, Inc (US) 2007-07-04 EP claimed
US-20060100213-A1 Triazoles and methods of use AMGEN INC. (US) 2006-05-11 US claimed
WO-2006044412-A1 NOVEL B1 BRADYKININ RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed
WO-2006044355-A1 TRIAZOLES AND THEIR USE AS BRADYKININ B1 RECEPTOR ANTAGONISTS AMGEN INC. (US) 2006-04-27 WO claimed
WO-2006041888-A2 SUBSTITUTED ARYL OR HETEROARYLSULFONYLBUTANAMIDES FOR USE AS ANTI-INFLAMMATORY AGENTS AMGEN INC. (US) 2006-04-20 WO claimed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO claimed
WO-2005061467-A2 PIPERAZINE DERIVATIVES AS BRADYKININ ANTAGONISTS AMGEN INC. (US) 2005-07-07 WO claimed
US-20050014749-A1 analgesics; antiinflammatory agents; antiarthritic agents;Alzheimer's disease; cirrhosis; antiallergens; antihistamines ; anticancer agents; vision defects AMGEN INC. 2005-01-20 US claimed
JP-2002539187-A 2002-11-19 JP claimed
EP-1163212-A1 AMIDE DERIVATIVES AstraZeneca AB (SE) 2001-12-19 EP claimed
WO-2000055120-A1 AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2000-09-21 WO claimed