SCHEMBL203356

SCHEMBL203356

O=CNNc1cccs1

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
SCHEMBL205040 0.77
SCHEMBL11054831 0.75 GAA (0.64)
SCHEMBL12060256 0.70
SCHEMBL203355 0.70
SCHEMBL28358159 0.70 ALDH1A1 (0.48)
SCHEMBL3401782 0.68 GAA (0.46)
SCHEMBL717594 0.68 GAA (0.42)
SCHEMBL11486594 0.67 GAA (0.51)
SCHEMBL28752228 0.67 POLB (0.46)
SCHEMBL28427136 0.67 CYP3A4 (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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE46424-E1 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2017-06-06 US claimed
US-8642761-B2 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2014-02-04 US claimed
US-20120065398-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES WILEX AG (DE) 2012-03-15 US claimed
US-8088921-B2 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2012-01-03 US claimed
US-7884206-B2 N-alpha-2,4,6-triisopropylphenylsulfonyl-3-cyano-(L)-phenylalanine-4-ethoxycarbonyl piperazide dissolved in ethanol, mixed with hydroxylamine hydrochloride to produce N- alpha -2,4,6-Triisopropylphenylsulfonyl-3-amidino-(L)-phenylalanine-4-ethoxycarbonyl piperazide hydrochloride, reduction with H2, Pd/C WILEX AG (DE) 2011-02-08 US claimed
US-7745441-B1 triisopropylphenylsulfonyl N alpha -substituted 3-amidinophenylalanine derivatives, having increased inhibitory activity against urokinases, used as antitumor or antimetastatic agents WILEX AG (DE) 2010-06-29 US claimed
EP-1836197-A4 SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS UNIV FED (BR) 2009-07-01 EP claimed
US-20080275105-A1 Selective Muscle Relaxant and Pharmaceutical Compositions UNIVERSIDADE FEDERAL DO RIO DE JANEIROUFRJ (BR) 2008-11-06 US claimed
CN-100369906-C Method for producing 3-amidinophenylalanine derivatives PENTAPHARM AG (DE) 2008-02-20 CN claimed
EP-1836197-A1 SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS Universidade Federal (BR) 2007-09-26 EP claimed
US-20070123706-A1 Method for producing 3-amidinophenylalanine derivatives WILEX AG 2007-05-31 US claimed
EP-1480963-B1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES WILEX AG (DE) 2007-05-02 EP claimed
WO-2006017921-A1 SELECTIVE MUSCLE RELAXANT AND PHARMACEUTICAL COMPOSITIONS UNIVERSIDADE FEDERAL DO RIO DE JANEIRO - UFRJ (BR) 2006-02-23 WO claimed
US-20050176962-A1 Method for producing 3-amidinophenylalanine derivatives WILEX AG (DE) 2005-08-11 US claimed
CN-1639142-A Method for producing 3-amidinophenylalanine derivatives PENTAPHARM AG (CH) 2005-07-13 CN claimed
EP-1480963-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES Pentapharm AG (CH) 2004-12-01 EP claimed
WO-2003072559-A1 METHOD FOR PRODUCING 3-AMIDINOPHENYLALANINE DERIVATIVES PENTAPHARM AG (CH) 2003-09-04 WO claimed
EP-1114024-B1 UROKINASE INHIBITORS PENTAPHARM AG (CH) 2002-11-27 EP claimed
EP-3095467-B1 ANTIBODY-ENZYME CONJUGATE VENTANA MED SYST INC (US) 2020-05-06 EP disclosed
EP-1114024-B1 UROKINASE INHIBITORS PENTAPHARM AG (CH) 2002-11-27 EP disclosed