SCHEMBL7356453

SCHEMBL7356453

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

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.61
ALOX15 P16050 1/20 0.57
EPHX1 P07099 1/20 0.47

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
SCHEMBL7366433 0.89 CHRNB2 (0.51) ACHEALOX15
SCHEMBL13296433 0.85 ACHE (0.66) ACHEALOX15EPHX1
SCHEMBL17663562 0.85 ACHE (0.66) ACHEALOX15EPHX1
SCHEMBL28614956 0.84 ACHE (0.63) ACHEALOX15EPHX1
SCHEMBL6287763 0.84 ACHE (0.63) ACHEALOX15EPHX1
SCHEMBL20332512 0.82 ALOX15 (0.61) ACHEALOX15EPHX1
SCHEMBL5247943 0.81 ACHE (0.59) ACHEALOX15EPHX1
SCHEMBL5246251 0.81 ACHE (0.59) ACHEALOX15EPHX1
SCHEMBL10737214 0.81 ACHE (0.59) ACHEALOX15EPHX1
SCHEMBL10141268 0.80 ACHE (0.58) ACHEALOX15EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1097051-C N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 2002-12-25 CN claimed
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
CN-1097051-C N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 2002-12-25 CN disclosed
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
CN-1192739-A N-heteroaryl-pyridinesulfonamide derivatives and their use as endothelin antagonists ZENECA LTD (GB) 1998-09-09 CN 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