SCHEMBL8166282

SCHEMBL8166282

COc1ccc(CCN2CCC(c3ncc(-c4ccccc4)o3)CC2)cc1S(N)(=O)=O

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.62
CA9 Q16790 9/20 0.62
CA12 O43570 8/20 0.62
CA1 P00915 5/20 0.60
ADRA1D P25100 1/20 0.57
ADRA1A P35348 1/20 0.57
ADRA1B P35368 1/20 0.57
TP53 P04637 4/20 0.46
LMNA P02545 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.44
NOD2 Q9HC29 1/20 0.44
PAX8 Q06710 1/20 0.43
MAPT P10636 2/20 0.42
POLB P06746 1/20 0.42

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 0.81 ADRA1D (0.75) CA2CA9CA12CA1ADRA1D
SCHEMBL8174151 0.79 ADRA1D (0.72) CA2CA9CA12CA1ADRA1D
SCHEMBL8174189 0.78 ADRA1D (0.89) CA2CA9CA12CA1ADRA1D
SCHEMBL8172876 0.77 ADRA1B (0.80) CA2CA9CA12CA1ADRA1D
SCHEMBL8174249 0.76 ADRA1D (0.84) CA2CA9CA12CA1ADRA1D
SCHEMBL8177368 0.73 ADRA1D (1.00) CA2CA9CA12CA1ADRA1D
Hydrochloric Acid SCHEMBL8174041 0.72 ADRA1D (0.87) CA2CA9CA12CA1ADRA1D
SCHEMBL8174931 0.72 ADRA1D (0.47) CA2CA9CA12CA1ADRA1D
SCHEMBL8173563 0.71 ADRA1D (0.61) ADRA1DADRA1AADRA1BTP53POLB
SCHEMBL8172981 0.68 ADRA1D (0.83) CA2CA9CA12CA1ADRA1D

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