SCHEMBL6158020

SCHEMBL6158020

O=C(CCc1ccc(NC2=NCCN2)cc1)c1cc(F)cc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 13/20 0.54
ADRA2B P18089 12/20 0.54
ADRA2C P18825 12/20 0.54
PTGIR P43119 5/20 0.49
AOC3 Q16853 1/20 0.48
GPR65 Q8IYL9 1/20 0.43

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 SCHEMBL6159874 0.99 ADRA2A (0.53) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160643 0.90 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159397 0.90 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6161212 0.87 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6159252 0.86 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159085 0.85 ADRA2A (0.58) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6159956 0.84 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159356 0.84 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160078 0.83 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159756 0.83 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3

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
EP-1339694-B1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS HOFFMANN LA ROCHE (CH) 2005-09-21 EP disclosed
EP-1339694-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2003-09-03 EP disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed