SCHEMBL7365007

SCHEMBL7365007

[CH2]COC(=O)NCC(C)CC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.45
HRH3 Q9Y5N1 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.37
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
MAPT P10636 1/20 0.34
ACHE P22303 5/20 0.33
FAAH O00519 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
ALOX15 P16050 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE10A Q9Y233 1/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7360555 0.82 CYP2D6 (0.48) SMN1; SMN2CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12654925 0.79 HRH4 (0.42) HRH4HRH3SMN1; SMN2MAPTFAAH
SCHEMBL12872128 0.79 HRH4 (0.42) HRH4HRH3SMN1; SMN2MAPTFAAH
SCHEMBL14454531 0.78 HRH4 (0.52) HRH4HRH3SMN1; SMN2CHRNB2CHRNB4
SCHEMBL24261161 0.76 ALOX15 (0.41) HRH4HRH3SMN1; SMN2MAPTFAAH
SCHEMBL11963834 0.76 HRH4 (0.40) HRH4HRH3SMN1; SMN2CHRNB2CHRNB4
SCHEMBL9797359 0.75 GAA (0.46) HRH4HRH3SMN1; SMN2CHRNB2CHRNB4
SCHEMBL7321656 0.75 HRH3 (0.47) HRH4HRH3CHRNB2CHRNB4CHRNA3
SCHEMBL17794032 0.75 LMNA (0.41) HRH4HRH3SMN1; SMN2MAPTFAAH
SCHEMBL514339 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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