SCHEMBL8094739

SCHEMBL8094739

CC(C)(C)OC(=O)NC1CC=CC2CNCC21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 6/20 0.40
NFKB2 Q00653 6/20 0.40
RELA Q04206 6/20 0.40
EPHX2 P34913 1/20 0.40
KDM1A O60341 2/20 0.39
EPHX1 P07099 1/20 0.37
GAA P10253 1/20 0.35
MAOB P27338 2/20 0.35
MAOA P21397 1/20 0.35
BTK Q06187 1/20 0.33
REN P00797 1/20 0.33
KCNA3 P22001 1/20 0.33
FPR3 P25089 1/20 0.32
FPR2 P25090 1/20 0.32
BCHE P06276 1/20 0.32
SSTR4 P31391 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
SCHEMBL8908962 0.92 NFKB1 (0.36) NFKB1NFKB2RELAEPHX2KDM1A
SCHEMBL7851192 0.81 NFKB1 (0.39) NFKB1NFKB2RELAGAA
SCHEMBL7851189 0.81 NFKB1 (0.39) NFKB1NFKB2RELAGAA
SCHEMBL8693432 0.81 NFKB1 (0.39) NFKB1NFKB2RELAGAA
SCHEMBL8094774 0.79 EPHX1 (0.36) NFKB1NFKB2RELAEPHX2EPHX1
SCHEMBL23268302 0.76 NFKB1 (0.40) NFKB1NFKB2RELAEPHX2KDM1A
SCHEMBL8094465 0.76 NFKB1 (0.40) NFKB1NFKB2RELAEPHX2KDM1A
SCHEMBL4643757 0.76 GAA (0.46) NFKB1NFKB2RELAEPHX2KDM1A
SCHEMBL4643768 0.76 GAA (0.46) NFKB1NFKB2RELAEPHX2KDM1A
SCHEMBL5024706 0.76 GAA (0.46) NFKB1NFKB2RELAEPHX2KDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588166-B1 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1996-06-05 EP claimed
EP-0588166-A2 Antibacterial 7-isoindolinyl-quinolone and naphthyridone derivatives BAYER AG (DE) 1994-03-23 EP claimed
EP-0770083-B1 PYRIDO[3,2,1-i,j][3,1]BENZOXAZINE DERIVATIVES BAYER AG (DE) 2000-08-30 EP disclosed
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-5618815-A ANTIBACTERIAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1997-04-08 US 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-0684244-A1 1,9-bridged thiazolo(3,2-a)quinoline derivatives BAYER AG (DE) 1995-11-29 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