SCHEMBL1730720

SCHEMBL1730720

CCOc1cc2c(c(F)c1OCC)C(=N)N(CC(=O)c1cc(N3CCN(CC(=O)O)CC3)c(OC)c(C(C)(C)C)c1)C2

nearest known ligand 0.99

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F2R P25116 17/20 0.99
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34

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
Hydrochloric Acid SCHEMBL1728724 0.99 F2R (1.00) F2RALDH1A1GAA
SCHEMBL13628887 0.94 F2R (0.88) F2RALDH1A1GAA
SCHEMBL13038490 0.93 F2R (0.85) F2RALDH1A1GAA
SCHEMBL9989475 0.93 F2R (0.85) F2RALDH1A1GAA
Bromide SCHEMBL2570630 0.92 F2R (0.84) F2RALDH1A1GAA
SCHEMBL13950221 0.92 F2R (0.85) F2R
SCHEMBL14449152 0.92 F2R (0.87) F2RGAA
SCHEMBL3979688 0.91 F2R (0.99) F2RALDH1A1GAA
SCHEMBL13637742 0.91 F2R (0.83) F2RALDH1A1GAA
SCHEMBL13144389 0.91 F2R (0.86) F2RGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP claimed
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP claimed
EP-2385039-A1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists Eisai R&D Management Co., Ltd. (JP) 2011-11-09 EP claimed
EP-1391456-B1 2-IMINOIMIDAZOLE DERIVATIVES EISAI R&D MAN CO LTD (JP) 2009-07-22 EP claimed
EP-1386912-B1 CYCLIC AMIDINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2009-03-18 EP claimed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US claimed
EP-1140794-B1 NOVEL METHOD FOR PREPARING CHIRAL AMINO ACIDS BAYER CROPSCIENCE SA (FR) 2004-01-21 EP claimed
EP-1226111-A1 CHIRAL (S- OR R-METHYLPHENYLGLYCINE) AMINO ACID CRYSTAL AND METHOD FOR PREPARING SAME AVENTIS CROPSCIENCE S.A. (FR) 2002-07-31 EP claimed
EP-1076718-B1 NOVEL METHOD FOR PREPARING SYNTHESIS INTERMEDIATES AVENTIS CROPSCIENCE SA (FR) 2002-05-02 EP claimed
EP-1140794-A1 NOVEL METHOD FOR PREPARING CHIRAL AMINO ACIDS AVENTIS CROPSCIENCE S.A. (FR) 2001-10-10 EP claimed
EP-1102744-A1 NOVEL METHOD FOR PREPARING OPTICALLY ACTIVE ALPHA-AMINONITRILES AVENTIS CROPSCIENCE S.A. (FR) 2001-05-30 EP claimed
WO-2001032603-A1 CHIRAL (S- OR R-METHYLPHENYLGLYCINE) AMINO ACID CRYSTAL AND METHOD FOR PREPARING SAME AVENTIS CROPSCIENCE S.A (FR) 2001-05-10 WO claimed
EP-1076718-A1 NOVEL METHOD FOR PREPARING SYNTHESIS INTERMEDIATES Aventis CropScience S.A. (FR) 2001-02-21 EP claimed
WO-2000075104-A1 NOVEL METHOD FOR PREPARING OPTICALLY ACTIVE ALPHA-AMINONITRILES AVENTIS CROPSCIENCE SA (FR) 2000-12-14 WO claimed
WO-2000040545-A1 NOVEL METHOD FOR PREPARING CHIRAL AMINO ACIDS AVENTIS CROPSCIENCE (FR) 2000-07-13 WO claimed
WO-1999058706-A1 NOVEL METHOD FOR PREPARING SYNTHESIS INTERMEDIATES AVENTIS CROPSCIENCE S.A. (FR) 1999-11-18 WO claimed
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
EP-2385039-B1 2-Iminoisoindolinone derivatives as thrombin receptor antagonists EISAI R&D MAN CO LTD (JP) 2014-03-12 EP disclosed
WO-2000040545-A1 NOVEL METHOD FOR PREPARING CHIRAL AMINO ACIDS AVENTIS CROPSCIENCE (FR) 2000-07-13 WO disclosed
WO-1999058706-A1 NOVEL METHOD FOR PREPARING SYNTHESIS INTERMEDIATES AVENTIS CROPSCIENCE S.A. (FR) 1999-11-18 WO disclosed