SCHEMBL8174151

SCHEMBL8174151

COc1ccc(CCN2CCC(c3nc(COCC(C)C)c(-c4ccccc4)o3)CC2)cc1S(N)(=O)=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 4/20 0.72
ADRA1A P35348 4/20 0.72
ADRA1B P35368 4/20 0.72
CA12 O43570 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA1 P00915 1/20 0.38
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
SSTR5 P35346 1/20 0.35
EBP Q15125 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
TMEM97 Q5BJF2 1/20 0.35
INSR P06213 1/20 0.34
ALK Q9UM73 1/20 0.34
ABCB1 P08183 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8181575 0.93 ADRA1D (0.75) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174189 0.89 ADRA1D (0.89) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174249 0.84 ADRA1D (0.84) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8177368 0.83 ADRA1D (1.00) ADRA1DADRA1AADRA1BCA12CA2
Hydrochloric Acid SCHEMBL8174041 0.82 ADRA1D (0.87) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8172876 0.82 ADRA1B (0.80) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8173563 0.82 ADRA1D (0.61) ADRA1DADRA1AADRA1BTP53ACHE
SCHEMBL8166282 0.79 CA2 (0.62) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8172981 0.78 ADRA1D (0.83) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174996 0.76 ADRA1D (0.52) ADRA1DADRA1AADRA1BACHESIGMAR1

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 4 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
US-6090825-A Oxazole derivatives as antagonists of alpha 1C andrenergic receptors GLAXO WELLCOME INC. (US) 2000-07-18 US disclosed