SCHEMBL8096624

SCHEMBL8096624

CCOC(=O)NC1C(C)C=CC2CN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 1/20 0.37
NR1H2 P55055 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NAMPT P43490 1/20 0.34
ALDH1A1 P00352 2/20 0.33
USP30 Q70CQ3 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
SSTR4 P31391 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 1/20 0.33
THRB P10828 1/20 0.33
EPHX1 P07099 1/20 0.32
ANO1 Q5XXA6 1/20 0.32

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
SCHEMBL8092844 0.80 JAK3 (0.39) JAK3NR1H2NFKB1NFKB2RELA
SCHEMBL8200872 0.79 NR1H2 (0.37) JAK3NR1H2NAMPTALDH1A1MEN1
SCHEMBL8083216 0.74 NAMPT (0.38) JAK3NR1H2NAMPTALDH1A1MEN1
SCHEMBL8083194 0.73 NR1H2 (0.40) NR1H2NAMPTUSP30SSTR4PDE4B
SCHEMBL25497147 0.72 NR1H2 (0.47) NR1H2NFKB1NFKB2RELANAMPT
SCHEMBL8200316 0.72 NR1H2 (0.37) JAK3NR1H2NFKB1NFKB2RELA
SCHEMBL8097569 0.71 NFKB1 (0.39) NFKB1NFKB2RELAALDH1A1CYP1A2
SCHEMBL12350246 0.71 NR1H2 (0.56) NR1H2NAMPTALDH1A1MEN1TSHR
SCHEMBL8203269 0.70 NR1H2 (0.37) JAK3NR1H2NAMPTALDH1A1SSTR4
SCHEMBL25023029 0.69 NR1H2 (0.41) JAK3NR1H2NFKB1NFKB2RELA

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