SCHEMBL7501718

SCHEMBL7501718

CC(C)(C)OC(=O)NCC12CN(c3cc4c(c(O)c3F)c(=O)c(OC(=O)O)cn4C3CC3)CC1CCO2

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL7496146 0.93 KCNH2 (0.40) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL7501715 0.90 KCNH2 (0.42) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9211202 0.88 KDM4E (0.43) KDM4EALDH1A1LMNAMAPTHPGD
Hydrochloric Acid SCHEMBL7494575 0.85 KCNH2 (0.34) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9207351 0.85 MEN1 (0.39) KCNH2
SCHEMBL7847276 0.84 KCNH2 (0.51) KCNH2HRH3KDM4EALDH1A1LMNA
SCHEMBL9212277 0.83 CACNA1F (0.40) KCNH2
SCHEMBL7496654 0.82 KCNH2 (0.37) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL7501610 0.82 KCNH2 (0.37) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL7494369 0.82 KCNH2 (0.37) KCNH2KDM4EALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0944385-B1 USE OF 7-(1-AMINOMETHYL-2-OXA-7-AZA-BICYCLO 3.3.0]OCT-7-YL)-QUINOLONE CARBOXYLIC ACID AND NAPHTHYRIDONE CARBOXYLIC ACID DERIVATIVES FOR TREATING HELICOBACTER PYLORI INFECTIONS AND THE GASTRODUODENAL DISEASES ASSOCIATED THEREWITH BAYER AG (DE) 2002-10-16 EP disclosed