SCHEMBL8922822

SCHEMBL8922822

CC(C)(C)OC(=O)NCC12CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3Cl)CC1CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
POLB P06746 3/20 0.51
OPRM1 P35372 2/20 0.51
CHRM2 P08172 1/20 0.51
CHRM1 P11229 1/20 0.51
OPRD1 P41143 1/20 0.51
KCNH2 Q12809 6/20 0.44
KDM4E B2RXH2 6/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PRKD3 O94806 1/20 0.42
ALOX15 P16050 1/20 0.42
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
LMNA P02545 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7836509 0.94 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7846922 0.94 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7846924 0.94 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7494366 0.94 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7836504 0.94 KCNH2 (0.46) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8922944 0.93 ALDH1A1 (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL8922943 0.93 ALDH1A1 (0.44) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9214867 0.92 ALDH1A1 (0.42) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7493082 0.91 KCNH2 (0.54) ALDH1A1POLBOPRM1KCNH2KDM4E
SCHEMBL7502244 0.90 KCNH2 (0.43) ALDH1A1POLBOPRM1CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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