SCHEMBL7684044

SCHEMBL7684044

Fc1cc(Cc2ccc(NC3=NCCN3)cc2)ccc1OC1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 16/20 0.55
ADRA2B P18089 15/20 0.55
ADRA2C P18825 15/20 0.55
PTGIR P43119 4/20 0.53
GPR65 Q8IYL9 1/20 0.47
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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 SCHEMBL4690857 0.99 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7679841 0.89 ADRA2A (0.56) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4689875 0.88 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4690853 0.87 ADRA2A (0.54) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4689990 0.84 ADRA2A (0.64) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4687665 0.83 PTGIR (0.51) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4689745 0.80 PTGIR (0.67) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4689983 0.79 ADRA2A (0.61) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7682578 0.78 ADRA2A (0.55) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4686075 0.75 ADRA2A (0.62) ADRA2AADRA2BADRA2CPTGIRGPR65

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
US-6472536-B1 SUCH AS 2-(4-(4-CYCLOPENTYLOXYBENZYL)PHENYL)AMINO-IMIDAZOLINE; ANTINOCICEPTIVE AGENTS; IP RECEPTOR ANTAGONISTS; TREATING INFLAMMATORY PAIN SYNTEX (U.S.A.) LLC 2002-10-29 US claimed