SCHEMBL7834809

SCHEMBL7834809

C[C@@H]1CNC[C@H]1NCC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
PTPRC P08575 2/20 0.35
EPHX2 P34913 1/20 0.35
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SSTR4 P31391 3/20 0.32
HSD11B2 P80365 1/20 0.32
SSTR1 P30872 1/20 0.32
ABCB1 P08183 1/20 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
SCHEMBL7834802 1.00 HRH3 (0.35) HRH3PTPRCEPHX2MAPTL3MBTL1
SCHEMBL7834806 1.00 HRH3 (0.35) HRH3PTPRCEPHX2MAPTL3MBTL1
SCHEMBL785469 0.85 L3MBTL1 (0.36) HRH3PTPRCEPHX2L3MBTL1ABCB1
SCHEMBL7834319 0.83 MAPT (0.33) HRH3PTPRCEPHX2MAPTL3MBTL1
SCHEMBL7834326 0.83 MAPT (0.33) HRH3PTPRCEPHX2MAPTL3MBTL1
SCHEMBL7834322 0.83 MAPT (0.33) HRH3PTPRCEPHX2MAPTL3MBTL1
SCHEMBL3198780 0.75 GAA (0.43) EPHX2
SCHEMBL4527860 0.75 GAA (0.43) EPHX2
SCHEMBL3198789 0.75 GAA (0.43) EPHX2
SCHEMBL3564060 0.75 GAA (0.43) EPHX2

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