SCHEMBL4701110

SCHEMBL4701110

[C]#CCc1ccccn1

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
SCHEMBL348980 0.82
SCHEMBL4819213 0.78 HRH1 (0.55)
SCHEMBL8710867 0.77
SCHEMBL3218192 0.77
Water SCHEMBL9578432 0.77 MAPT (0.50)
SCHEMBL365933 0.77
SCHEMBL6545761 0.77
SCHEMBL8710864 0.77
Hydrochloric Acid SCHEMBL28196424 0.76 MAPT (0.48)
SCHEMBL17039186 0.74 SMN1; SMN2 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051397-B1 METHOD FOR PREPARING AN N- (ALIPHATIC OR AROMATIC)CARBONYL -2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMA INC (US) 2008-12-31 EP disclosed
US-7361663-B2 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. (US) 2008-04-22 US disclosed
EP-1212269-B1 METHODS FOR PREPARING N- (ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMA INC (US) 2004-10-27 EP disclosed
EP-1051397-A4 METHOD FOR PREPARING AN N- (ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARM PROD INC (US) 2004-09-29 EP disclosed
EP-1080075-B1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMA INC (US) 2004-08-11 EP disclosed
US-20040087570-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-06 US disclosed
US-20040067988-A1 Piperididinyl and N-amidinopiperidinyl derivatives AVENTIS PHARMACEUTICALS INC. (US) 2004-04-08 US disclosed
US-20030092698-A1 N-acylpyrrolidin-2-ylalkylbenzamidine derivatives as inhibitors of factor Xa AVENTIS PHARMACEUTICALS INC. 2003-05-15 US disclosed
EP-1263726-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA Aventis Pharma Deutschland GmbH (DE) 2002-12-11 EP disclosed
US-6492553-B1 A METHOD FOR PREPARING A N-((ALIPHATIC OR AROMATIC)CARBONYL) )-2-AMINOACETAMIDE COMPOUND, AND FOR PREPARING A CYCLIZED COMPOUND THEREFROM, AS WELL AS NOVEL RESIN BOUND INTERMEDIATE COMPOUNDS THAT ARE USEFUL FOR PREPARING SUCH COMPOUNDS. AVENTIS PHARAMACEUTICALS INC. 2002-12-10 US disclosed
EP-1212269-A1 METHODS FOR PREPARING N- (ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS Aventis Pharmaceuticals Products Inc. (US) 2002-06-12 EP disclosed
US-20020016339-A1 Piperididinyl and N-amidinopiperidinyl derivatives KLEIN SCOTT I (US) 2002-02-07 US disclosed
US-6277865-B1 ANTICOAGULANTS AVENTIS PHARMACEUTICALS PRODUCTS INC. 2001-08-21 US disclosed
EP-1080075-A4 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARM PROD INC (US) 2001-06-27 EP disclosed
WO-2001034567-A1 N-ACYLPYRROLIDIN-2-YLALKYLBENZAMIDINE DERIVATIVES AS INHIBITORS OF FACTOR XA AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-05-17 WO disclosed
EP-1080075-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES Aventis Pharmaceuticals Products Inc. (US) 2001-03-07 EP disclosed
WO-2001010799-A1 METHODS FOR PREPARING N-[(ALIPHATIC OR AROMATIC)CARBONYL)]-2-AMINOACETAMIDE COMPOUNDS AND FOR CYCLIZING SUCH COMPOUNDS AVENTIS PHARMACEUTICAL PRODUCTS INC. (US) 2001-02-15 WO disclosed
EP-1051397-A1 METHOD FOR PREPARING AN N- (ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND Aventis Pharmaceuticals Products Inc. (US) 2000-11-15 EP disclosed
WO-1999048870-A1 PIPERIDIDINYL AND N-AMIDINOPIPERIDINYL DERIVATIVES AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-09-30 WO disclosed
WO-1999038844-A1 METHOD FOR PREPARING AN N-[(ALIPHATIC OR AROMATIC)CARBONYL]-2-AMINOACETAMIDE COMPOUND AND A CYCLYZED COMPOUND AVENTIS PHARMACEUTICALS PRODUCTS INC. (US) 1999-08-05 WO disclosed