SCHEMBL8181575

SCHEMBL8181575

CCOCc1nc(C2CCN(CCc3ccc(OC)c(S(N)(=O)=O)c3)CC2)oc1-c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.75
ADRA1A P35348 1/20 0.75
ADRA1B P35368 1/20 0.75
CA12 O43570 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
CA1 P00915 2/20 0.40
HRH1 P35367 3/20 0.38
SSTR5 P35346 2/20 0.38
KCNH2 Q12809 1/20 0.37
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
TMEM97 Q5BJF2 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CA4 P22748 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36

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
SCHEMBL8174151 0.93 ADRA1D (0.72) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174189 0.92 ADRA1D (0.89) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8173563 0.89 ADRA1D (0.61) ADRA1DADRA1AADRA1BHRH1SSTR5
SCHEMBL8174249 0.87 ADRA1D (0.84) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8177368 0.86 ADRA1D (1.00) ADRA1DADRA1AADRA1BCA12CA2
Hydrochloric Acid SCHEMBL8174041 0.85 ADRA1D (0.87) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8172876 0.84 ADRA1B (0.80) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174996 0.83 ADRA1D (0.52) ADRA1DADRA1AADRA1BKCNH2SIGMAR1
SCHEMBL8166282 0.81 CA2 (0.62) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8172981 0.80 ADRA1D (0.83) ADRA1DADRA1AADRA1BCA12CA2

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-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US claimed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 EP claimed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 WO claimed