SCHEMBL7834322

SCHEMBL7834322

COC1CNCC1NCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
HSD11B2 P80365 1/20 0.32
CHRNB2 P17787 2/20 0.32
CHRNA4 P43681 2/20 0.32
HRH3 Q9Y5N1 1/20 0.31
CA12 O43570 1/20 0.31
CA2 P00918 1/20 0.31
CA14 Q9ULX7 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
HTR3A P46098 1/20 0.31
HTR4 Q13639 1/20 0.31
PTPRC P08575 2/20 0.30
EPHX2 P34913 1/20 0.30

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
SCHEMBL7834326 1.00 MAPT (0.33) MAPTHSD11B2CHRNB2CHRNA4HRH3
SCHEMBL7834319 1.00 MAPT (0.33) MAPTHSD11B2CHRNB2CHRNA4HRH3
SCHEMBL7834806 0.83 HRH3 (0.35) MAPTHSD11B2HRH3L3MBTL1PTPRC
SCHEMBL7834802 0.83 HRH3 (0.35) MAPTHSD11B2HRH3L3MBTL1PTPRC
SCHEMBL7834809 0.83 HRH3 (0.35) MAPTHSD11B2HRH3L3MBTL1PTPRC
SCHEMBL785469 0.78 L3MBTL1 (0.36) CHRNB2CHRNA4HRH3CA12CA2
SCHEMBL6213009 0.77 GAA (0.40) CA2HTR3AHTR4EPHX2
SCHEMBL21589214 0.77 GAA (0.40) CA2HTR3AHTR4EPHX2
SCHEMBL21585804 0.77 GAA (0.40) CA2HTR3AHTR4EPHX2
SCHEMBL6210320 0.77 GAA (0.40) CA2HTR3AHTR4EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0787726-B1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-5817669-A A COMPOUND CONTAINING 1-(2-THIAZOLYL)-1,8-NAPHTHYRIDINE-3-CARBOXYLIC ACID DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1998-10-06 US disclosed
EP-0787726-A1 NOVEL COMPOUND, PROCESS FOR PRODUCING THE SAME, AND ANTITUMOR AGENT DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-08-06 EP disclosed