SCHEMBL8174451

SCHEMBL8174451

Fc1ccc(-c2oc(C3CCNCC3)nc2COCC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.52
ADRA1A P35348 1/20 0.52
ADRA1B P35368 1/20 0.52
CASP6 P55212 1/20 0.37
MPO P05164 1/20 0.37
MKNK1 Q9BUB5 1/20 0.36
MKNK2 Q9HBH9 1/20 0.36
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 5/20 0.35
HTR1A P08908 4/20 0.35
MAPK14 Q16539 3/20 0.35
MAPK11 Q15759 2/20 0.35
MAPK13 O15264 1/20 0.35
RAF1 P04049 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPK12 P53778 1/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
Hydrochloric Acid SCHEMBL8173485 0.99 ADRA1D (0.51) ADRA1DADRA1AADRA1BCASP6MPO
SCHEMBL8180362 0.91 ADRA1D (0.44) ADRA1DADRA1AADRA1BCASP6SLC6A2
SCHEMBL8173521 0.88 ADRA1D (0.53) ADRA1DADRA1AADRA1B
SCHEMBL8166843 0.85 ADRA1D (0.42) ADRA1DADRA1AADRA1BCASP6MPO
Trifluoroacetic Acid SCHEMBL8166220 0.85 ADRA1D (0.42) ADRA1DADRA1AADRA1BCASP6
SCHEMBL8174924 0.84 ADRA1D (0.41) ADRA1DADRA1AADRA1BCASP6MPO
SCHEMBL8179453 0.84 ADRA1D (0.39) ADRA1DADRA1AADRA1BCASP6MPO
SCHEMBL8166794 0.81 ADRA1D (0.57) ADRA1DADRA1AADRA1BMAPK14MAPK11
SCHEMBL8166964 0.81 ADRA1D (0.59) ADRA1DADRA1AADRA1BMAPK14
SCHEMBL8178561 0.80 MPO (0.41) ADRA1DADRA1AADRA1BCASP6MPO

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 disclosed
EP-0793658-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF ALPHA-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1997-09-10 EP disclosed
WO-1996016049-A1 OXAZOLE DERIVATIVES AS ANTAGONISTS OF α-1C ADRENERGIC RECEPTORS GLAXO WELLCOME INC. (US) 1996-05-30 WO disclosed