SCHEMBL8091226

SCHEMBL8091226

CCOC(=O)C(N)C1CC=CC2CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.38
DPP4 P27487 2/20 0.34
JAK3 P52333 1/20 0.34
ADORA1 P30542 1/20 0.32
NAMPT P43490 1/20 0.32
SSTR4 P31391 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
IDO1 P14902 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
SCHEMBL8200316 0.78 NR1H2 (0.37) NR1H2JAK3ADORA1NAMPTSSTR4
SCHEMBL8203269 0.78 NR1H2 (0.37) NR1H2JAK3ADORA1NAMPTSSTR4
SCHEMBL8092844 0.77 JAK3 (0.39) NR1H2JAK3NAMPTSSTR4ALDH1A1
SCHEMBL8090935 0.77 NR1H2 (0.42) NR1H2DPP4JAK3NAMPTSSTR4
SCHEMBL8083216 0.75 NAMPT (0.38) NR1H2JAK3NAMPTSSTR4KDM4E
SCHEMBL8083132 0.74 NR1H2 (0.48) NR1H2JAK3NAMPTSSTR4KDM4E
SCHEMBL8083678 0.73 NR1H2 (0.40) NR1H2JAK3NAMPTSSTR4KDM4E
SCHEMBL8089773 0.72
SCHEMBL8091894 0.72 JAK3 (0.38) NR1H2JAK3NAMPT
SCHEMBL8201202 0.71 NR1H2 (0.38) NR1H2JAK3NAMPTSSTR4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682030-B1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 2000-07-05 EP disclosed
US-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP disclosed
US-5508278-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-04-16 US disclosed
EP-0682030-A1 8-Amino-10(azabicycloalkyl)-pyrido[1,2,3-d,e] [1,3,4] benzoxadiazine derivatives, process for their preparation and antibacterial agents containing them BAYER AG (DE) 1995-11-15 EP disclosed
EP-0647644-A1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1995-04-12 EP disclosed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP disclosed