SCHEMBL8412988

SCHEMBL8412988

[CH2]CCCSC(=O)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.48
CHRNB4 P30926 1/20 0.48
CHRNA3 P32297 1/20 0.48
CHRNA4 P43681 1/20 0.48

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
SCHEMBL8409969 0.86
SCHEMBL11849588 0.79 CHRNB2 (0.50) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8412668 0.78 CHRNB2 (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7536149 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10963898 0.77 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15471407 0.76 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8413065 0.75
SCHEMBL1885262 0.73
SCHEMBL11129844 0.73
SCHEMBL8412669 0.73 ALDH1A1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5859030-A Substituted arylalkylthioalkylthiopyridines for use in the control of helicobacter bacteria BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1999-01-12 US disclosed
EP-0764161-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1997-03-26 EP disclosed
WO-1995034554-A1 SUBSTITUTED ARYLALKYLTHIOALKYLTHIOPYRIDINES FOR USE IN THE CONTROL OF HELICOBACTER BACTERIA BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1995-12-21 WO disclosed