SCHEMBL8925642

SCHEMBL8925642

CC(C)(C)OC(=O)NCC12CCOC1CNC2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.44
EPHX1 P07099 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
GAA P10253 2/20 0.31
GFER P55789 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL8924790 0.87 TSHR (0.33) TSHR
SCHEMBL8923463 0.81
SCHEMBL22532010 0.81 HCRTR2 (0.42) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL20115564 0.80 HCRTR2 (0.50) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL8383866 0.78 HCRTR2 (0.38) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL4505641 0.78 HCRTR2 (0.40) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL14432052 0.76 EPHX1 (0.39) HCRTR2EPHX1TDP1MEN1KMT2A
Hydrochloric Acid SCHEMBL22389973 0.75 EPHX1 (0.38) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL7098423 0.75 EPHX1 (0.40) HCRTR2EPHX1TDP1MEN1KMT2A
SCHEMBL8926365 0.75 HCRTR2 (0.41) HCRTR2EPHX1TDP1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP claimed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US claimed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP claimed
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed