SCHEMBL6159356

SCHEMBL6159356

O=C(CCc1ccc(NC2=NCCN2)cc1)c1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 14/20 0.50
ADRA2B P18089 13/20 0.50
ADRA2C P18825 13/20 0.50
PTGIR P43119 4/20 0.46
AOC3 Q16853 1/20 0.46
GPR65 Q8IYL9 1/20 0.41

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 SCHEMBL6161371 0.99 ADRA2A (0.49) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6161625 0.91 ADRA2A (0.49) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6161584 0.88 PTGIR (0.58) ADRA2AADRA2BADRA2CPTGIRAOC3
Hydrochloric Acid SCHEMBL6161381 0.87 PTGIR (0.57) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160627 0.87 ADRA2A (0.52) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159397 0.84 ADRA2A (0.59) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6158020 0.84 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159168 0.83 ADRA2A (0.48) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6159740 0.83 ADRA2A (0.50) ADRA2AADRA2BADRA2CPTGIRAOC3
SCHEMBL6160643 0.83 ADRA2A (0.51) 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 4 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
US-6417186-B1 TREATING PAIN, URINARY TRACT INFECTIONS, INFLAMMATION, RESPIRATORY DISEASE STATES FROM ALLERGIES OR ASTHMA, EDEMA FORMATION OR HYPOTENSIVE VASCULAR DISEASES. SYNTEX (U.S.A.) LLC 2002-07-09 US disclosed
WO-2002040453-A1 SUBSTITUTED 2-PHENYLAMINOIMIDAZOLINE PHENYL KETONE DERIVATIVES AS IP ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2002-05-23 WO disclosed