SCHEMBL7465443

SCHEMBL7465443

O=C1CC(=S)C=CN1NC1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 7/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
NISCH Q9Y2I1 1/20 0.33

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
SCHEMBL7469481 0.68
SCHEMBL7471758 0.62
SCHEMBL11839444 0.61 ADRA2A (0.49) ADRA2AADRA2BADRA2CNISCH
SCHEMBL9354170 0.58
SCHEMBL6054462 0.56 NISCH (0.69) ADRA2AADRA2BADRA2CNISCH
SCHEMBL9022322 0.55
SCHEMBL14253149 0.55
SCHEMBL11007474 0.55 NISCH (0.58) ADRA2AADRA2BADRA2CNISCH
SCHEMBL11428144 0.55 NISCH (0.55) ADRA2AADRA2BADRA2CNISCH
SCHEMBL11418621 0.55 NISCH (0.55) ADRA2AADRA2BADRA2CNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 EP claimed
EP-0416814-B1 Antibacterial cephalosporin derivatives PFIZER (US) 2002-04-24 EP disclosed
US-5504076-A Cephalosporin compounds PFIZER INC. (US) 1996-04-02 US disclosed
EP-0416814-A2 Cephalosporin compounds, process for their preparation, pharmaceutical compositions and intermediates BEECHAM GROUP PLC (GB) 1991-03-13 EP disclosed