SCHEMBL8200316

SCHEMBL8200316

CCOC(=O)OC1CC=CC2CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.37
JAK3 P52333 1/20 0.33
NAMPT P43490 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 2/20 0.32
PIK3CD O00329 2/20 0.32
SSTR4 P31391 1/20 0.32
GLA P06280 1/20 0.32
LMNA P02545 2/20 0.31
THRB P10828 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GPR119 Q8TDV5 3/20 0.31
ADORA1 P30542 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL8201202 0.84 NR1H2 (0.38) NR1H2JAK3NAMPTALDH1A1MAPT
SCHEMBL8200872 0.82 NR1H2 (0.37) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8203269 0.80 NR1H2 (0.37) NR1H2JAK3NAMPTALDH1A1SSTR4
SCHEMBL8092844 0.79 JAK3 (0.39) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8083132 0.76 NR1H2 (0.48) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8090935 0.76 NR1H2 (0.42) NR1H2JAK3NAMPTMEN1ALDH1A1
SCHEMBL8083678 0.74 NR1H2 (0.40) NR1H2JAK3NAMPTMEN1KMT2A
SCHEMBL8091894 0.73 JAK3 (0.38) NR1H2JAK3NAMPTGPR119
SCHEMBL30954888 0.72 NR1H2 (0.51) NR1H2NAMPTGPR119SMN1; SMN2KDM4E
SCHEMBL8096624 0.72 JAK3 (0.37) NR1H2JAK3NAMPTMEN1ALDH1A1

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 6 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
EP-0647644-B1 Antibacterial pyrido 1,2,3-d,e 1,3,4 benzoxacin derivatives BAYER AG (DE) 1997-11-05 EP disclosed
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP 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