SCHEMBL8174249

SCHEMBL8174249

COCc1nc(C2CCN(CCc3ccc(OC)c(S(N)(=O)=O)c3)CC2)oc1-c1ccc(F)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.84
ADRA1A P35348 1/20 0.84
ADRA1B P35368 1/20 0.84
CA12 O43570 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
CA1 P00915 1/20 0.41
PRCP P42785 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR2A P28223 1/20 0.37
GRM2 Q14416 1/20 0.37
CCR5 P51681 2/20 0.36
CCR3 P51677 2/20 0.36
TP53 P04637 1/20 0.36
ABCB1 P08183 1/20 0.36
CCNT1 O60563 1/20 0.36
CDK9 P50750 1/20 0.36
BRD4 O60885 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
SCHEMBL8172876 0.93 ADRA1B (0.80) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8177368 0.91 ADRA1D (1.00) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8181575 0.87 ADRA1D (0.75) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174189 0.85 ADRA1D (0.89) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8174151 0.84 ADRA1D (0.72) ADRA1DADRA1AADRA1BCA12CA2
Hydrochloric Acid SCHEMBL8174041 0.84 ADRA1D (0.87) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8175556 0.83 ADRA1D (0.66) ADRA1DADRA1AADRA1BPRCPHTR2A
SCHEMBL8172981 0.82 ADRA1D (0.83) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8170068 0.81 ADRA1D (0.83) ADRA1DADRA1AADRA1BCA12CA2
SCHEMBL8173553 0.78 ADRA1D (0.77) ADRA1DADRA1AADRA1BHTR2AABCB1

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