SCHEMBL7366433

SCHEMBL7366433

[CH2]C(C)COC(=O)NCCC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.51
CHRNB4 P30926 1/20 0.51
CHRNA3 P32297 1/20 0.51
CHRNA4 P43681 1/20 0.51
ACHE P22303 12/20 0.46
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL7356453 0.89 ACHE (0.61) ACHEALOX15
SCHEMBL8381807 0.84 SMN1; SMN2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL9681841 0.82 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL20927998 0.78 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL14984014 0.78 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL14872690 0.77 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL21115823 0.77 CHRNB2 (0.47) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL17790870 0.76 MEN1 (0.49) CHRNB2CHRNB4CHRNA3CHRNA4ACHE
SCHEMBL1415970 0.75
SCHEMBL593148 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP claimed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP claimed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO claimed
EP-0832082-B1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ASTRAZENECA AB (SE) 2001-11-21 EP disclosed
US-6258817-B1 PRODRUGS, HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS ZENECA LTD. (GB) 2001-07-10 US disclosed
US-6060475-A Substituted pyrazin-2-yl-sulphonamide-(3-pyridyl) compounds and uses thereof ZENECA LIMITED (GB) 2000-05-09 US disclosed
US-5866568-A ENDOTHELIN RECEPTOR ANTAGONIST ACTIVITY ZENECA LIMITED (GB) 1999-02-02 US disclosed
EP-0832082-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1998-04-01 EP disclosed
WO-1996040681-A1 N-HETEROARYL-PYRIDINESULFONAMIDE DERIVATIVES AND THEIR USE AS ENDOTHELIN ANTAGONISTS ZENECA LIMITED (GB) 1996-12-19 WO disclosed