SCHEMBL8993312

SCHEMBL8993312

CCC1CCCc2c(NC3=NCCO3)cccc21.CCC1CCc2c(cccc2NC2=NCCO2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.43
ADRA2B P18089 2/20 0.43
ADRA2C P18825 2/20 0.43
ADRA1A P35348 2/20 0.43
TAAR1 Q96RJ0 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
CFB P00751 1/20 0.31
HTR1A P08908 1/20 0.31
SLC6A4 P31645 1/20 0.31
KDM4C Q9H3R0 1/20 0.31

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
SCHEMBL7043892 0.90 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7046475 0.89 ADRA2A (0.44) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047719 0.82 ADRA1A (0.39) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7048861 0.78 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7046794 0.77 TRPV1 (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047687 0.75 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7042987 0.73 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7043711 0.69 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9006740 0.69 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047984 0.67 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1ATAAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed