SCHEMBL6161212

SCHEMBL6161212

O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(F)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 12/20 0.55
ADRA2B P18089 11/20 0.55
ADRA2C P18825 11/20 0.55
PTGIR P43119 3/20 0.50
AOC3 Q16853 1/20 0.46
F12 P00748 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
WDR5 P61964 2/20 0.42
GPR65 Q8IYL9 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
Hydrochloric Acid SCHEMBL6159252 0.99 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159397 0.88 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158020 0.87 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160643 0.86 ADRA2A (0.51) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6159874 0.86 ADRA2A (0.53) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159756 0.85 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159576 0.85 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6159435 0.84 ADRA2A (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL4759817 0.84 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6159918 0.84 ADRA2A (0.54) 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 1 patent. 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