SCHEMBL7995325

SCHEMBL7995325

CCOC(=O)c1cc(=O)c2cc(F)c(N3C[C@@H]4CCO[C@]4(CN)C3)c(C#N)c2n1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.36
KCNH2 Q12809 6/20 0.35
SCN5A Q14524 1/20 0.32
ADRB2 P07550 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
SCHEMBL7842251 1.00 STAT3 (0.36) STAT3KCNH2SCN5AADRB2
SCHEMBL7494525 0.90 KCNH2 (0.34) KCNH2SCN5A
Hydrochloric Acid SCHEMBL7847229 0.89 KCNH2 (0.34) KCNH2SCN5A
SCHEMBL7844634 0.80
Bicarbonate SCHEMBL7496529 0.80 KCNH2 (0.36) KCNH2
Bicarbonate SCHEMBL7496066 0.79 KCNH2 (0.35) KCNH2
SCHEMBL7856565 0.79 KCNH2 (0.34) KCNH2
SCHEMBL7844447 0.77 STAT3 (0.48) STAT3ADRB2
SCHEMBL7492130 0.76 KCNH2 (0.53) KCNH2
SCHEMBL7495552 0.76 KCNH2 (0.42) STAT3KCNH2

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
US-6288081-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 AKTIENGESELLSCHAFT (DE) 2001-09-11 US disclosed