SCHEMBL2638240

SCHEMBL2638240

CC(N)(CCC=CCNCC=N)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GGT1 P19440 1/20 0.39
ARG1 P05089 1/20 0.36
ARG2 P78540 1/20 0.36
ACLY P53396 1/20 0.34
BLM P54132 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EGFR P00533 1/20 0.33
CYP1A2 P05177 1/20 0.33
FYN P06241 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
APEX1 P27695 1/20 0.33
ADRA1A P35348 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL537593 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLYBLM
SCHEMBL6475315 1.00 GGT1 (0.39) GGT1ARG1ARG2ACLYBLM
SCHEMBL6130501 0.84 BLM (0.34) GGT1ARG1ARG2BLMKDM4E
SCHEMBL6986975 0.84 BLM (0.34) GGT1ARG1ARG2BLMKDM4E
SCHEMBL6478143 0.84 BLM (0.34) GGT1ARG1ARG2BLMKDM4E
SCHEMBL6985887 0.84 BLM (0.34) GGT1ARG1ARG2BLMKDM4E
SCHEMBL6989001 0.83 MEN1 (0.45) ARG1ARG2ACLYMEN1ALDH1A1
SCHEMBL6992300 0.83 MEN1 (0.45) ARG1ARG2ACLYMEN1ALDH1A1
SCHEMBL7137223 0.81 ACLY (0.34) ACLY
SCHEMBL6988773 0.79 ODC1 (0.42) MEN1ALDH1A1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4708024-B2 2011-06-22 JP claimed
EP-1534668-A1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID Pharmacia Corporation (US) 2005-06-01 EP claimed
WO-2004018412-A1 CRYSTALLINE SOLID FORM OF (2S-5Z)-2-AMINO-7-(ETHANIMIDOYLAMINO)-2-METHYLHEPT-5-ENOIC ACID PHARMACIA CORPORATION (US) 2004-03-04 WO claimed
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP claimed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO claimed
EP-3019478-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Inc. (US) 2016-05-18 EP disclosed
WO-2015006280-A9 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-05-14 WO disclosed
WO-2015006280-A1 FUSED PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-15 WO disclosed
EP-1863757-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-12-12 EP disclosed
WO-2006099410-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-21 WO disclosed
EP-1603671-A2 METHODS FOR SELECTIVELY REMOVING COUNTERIONS FROM COMPOUNDS AND COMPOUNDS DERIVED FROM SUCH METHODS Pharmacia Corporation (US) 2005-12-14 EP disclosed
WO-2005025620-A2 COMBINATION THERAPY WITH INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE AND ALKYLATING AGENTS PHARMACIA CORPORATION (US) 2005-03-24 WO disclosed
WO-2004081073-A2 METHODS FOR SELECTIVELY REMOVING COUNTERIONS FROM COMPOUNDS AND COMPOUNDS DERIVED FROM SUCH METHODS PHARMACIA CORPORATION (US) 2004-09-23 WO disclosed
EP-1317421-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS Pharmacia Corporation (US) 2003-06-11 EP disclosed
WO-2002022562-A1 2-AMINO-2-ALKYL-5 HEPTENOIC AND HEPTYNOIC ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS PHARMACIA CORPORATION (US) 2002-03-21 WO disclosed