SCHEMBL7685597

SCHEMBL7685597

c1cc(NC2=NCCN2)ccc1Cc1ccc(OCC2CC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 11/20 0.70
ADRA2B P18089 10/20 0.70
ADRA2C P18825 10/20 0.70
PTGIR P43119 9/20 0.69
GPR65 Q8IYL9 1/20 0.65

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 SCHEMBL4689116 0.99 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4689671 0.96 ADRA2A (0.68) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7686408 0.94 ADRA2A (0.65) ADRA2AADRA2BADRA2CPTGIRGPR65
Hydrochloric Acid SCHEMBL4689825 0.93 ADRA2A (0.64) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4686075 0.92 ADRA2A (0.62) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4692818 0.88 ADRA2A (0.60) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL4691558 0.85 PTGIR (0.76) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7677405 0.84 PTGIR (0.58) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL7685721 0.84 ADRA2A (0.61) ADRA2AADRA2BADRA2CPTGIRGPR65
SCHEMBL13017291 0.84 ADRA2A (1.00) 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