SCHEMBL5407761

SCHEMBL5407761

CC(=O)NC(NC(C)=O)OC(NC(C)=O)NC(C)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.37
NFKB1 P19838 2/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 4/20 0.37
CA2 P00918 1/20 0.37
PTGS1 P23219 1/20 0.37
MMP12 P39900 1/20 0.37
CYP1A2 P05177 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
CRAT P43155 1/20 0.31
PLA2G2C Q5R387 2/20 0.31

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
SCHEMBL9504333 0.78 TGFBR1 (0.47) KDM4EALDH1A1TSHR
SCHEMBL5157711 0.73 ALDH1A1 (0.39) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL4278579 0.69 KDM4E (0.44) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL3621965 0.69 TSHR (0.38) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL28449492 0.68
SCHEMBL22023061 0.67 ALDH1A1 (0.35) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL13692 0.67
SCHEMBL6661692 0.67 KDM4E (0.41) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL14157901 0.67 TRPV1 (0.46) KDM4ENFKB1MAPTTHRBALOX15
SCHEMBL7815667 0.67

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775160-B1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATIDE INC (US) 2004-08-18 EP claimed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP claimed
US-6241965-B1 MEDICAL DIAGNOSTIC AND ANTITUMOR AGENTS DIATIDE, INC. 2001-06-05 US claimed
US-5932189-A RADIOTHERAPY, RADIODIAGNOSIS PEPTIDES DIATECH, INC. (US) 1999-08-03 US claimed
EP-0720621-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES Diatide, Inc. (US) 1996-07-10 EP claimed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO claimed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO claimed
US-7238340-B1 Monoamine, diamide, thiol-containing metal chelating agents CIS BIO INTERNATIONAL (FR) 2007-07-03 US disclosed
EP-1092726-B1 Radioactively-labeled somatostatin derived peptides for imaging and therapeutics uses DIATIDE INC (US) 2006-08-23 EP disclosed
EP-0775160-B1 CYCLIC HEXAPEPTIDE SOMATOSTATIN ANALOGUES DIATIDE INC (US) 2004-08-18 EP disclosed
EP-0804252-B1 MONOAMINE, DIAMIDE, THIOL-CONTAINING METAL CHELATING AGENTS DIATIDE INC (US) 2003-08-13 EP disclosed
EP-0804481-B1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATIDE INC (US) 2003-04-16 EP disclosed
US-6509001-B1 Peptide covalently linked to radioactive metal or iodine chelator; diagnostic and therapeutic modalities against cancer; lung and ovarian adenocarcinoma, breast cancers and lymphomas DIATIDE, INC. 2003-01-21 US disclosed
US-6051206-A CYCLIC PEPTIDE DERIVATIVES; RADIODIAGNOSIS; IMAGING DIATIDE, INC (US) 2000-04-18 US disclosed
US-6007792-A CHELATE COMPOUNDS LABELED WITH TECHNETIUM-99M, RHENIUM-186, OR RHENIUM-188; TUMOR IMAGING DIATIDE, INC. (US) 1999-12-28 US disclosed
US-5955426-A SUCH PEPTIDES RADIOLABELED WITH A RADIOSIOTOPE, AS WELL AS METHODS FOR USING SUCH PEPTIDES FOR RADIODIAGNOSTIC AND RADIOTHERAPEUTIC PURPOSES DIATIDE, INC. (US) 1999-09-21 US disclosed
US-5932189-A RADIOTHERAPY, RADIODIAGNOSIS PEPTIDES DIATECH, INC. (US) 1999-08-03 US disclosed
US-5849261-A Radiolabeled vasoactive intestinal peptides for diagnosis and therapy DIATIDE, INC. (US) 1998-12-15 US disclosed
WO-1995003330-A1 SOMATOSTATIN DERIVATIVES AND THEIR RADIOLABELLED PRODUCTS DIATECH, INC. (US) 1995-02-02 WO disclosed
WO-1995000553-A1 RADIOLABELED SOMATOSTATIN-DERIVED PEPTIDES FOR IMAGING AND THERAPEUTIC USES DIATECH, INC. (US) 1995-01-05 WO disclosed