SCHEMBL6367226

SCHEMBL6367226

CCCn1ncnc1-c1ccccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 3/20 0.47
ADRA1A P35348 3/20 0.47
ADRA1B P35368 3/20 0.47
HSD11B1 P28845 1/20 0.43
HSD17B10 Q99714 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
PDE5A O76074 1/20 0.39
GFER P55789 1/20 0.39
TYMS P04818 1/20 0.38
ENPP1 P22413 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
ALPL P05186 1/20 0.37

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
SCHEMBL6366927 0.92 ADRA1D (0.49) ADRA1DADRA1AADRA1BHSD11B1HSD17B10
SCHEMBL6366641 0.89 ADRA1D (0.46) ADRA1DADRA1AADRA1BHSD11B1HSD17B10
SCHEMBL6372007 0.81 HSD11B1 (0.48) ADRA1DADRA1AADRA1BHSD11B1HSD17B10
SCHEMBL6366289 0.80 ADRA1A (0.48) ADRA1AHSD11B1HSD17B10ALDH1A1TDP1
SCHEMBL11043863 0.80 ALDH1A1 (0.55) HSD11B1HSD17B10ALDH1A1TDP1GFER
SCHEMBL6367059 0.76 ADRA1D (0.49) ADRA1DADRA1AADRA1BHSD17B10ALDH1A1
SCHEMBL6367222 0.75 ADRA1D (0.45) ADRA1DADRA1AHSD11B1HSD17B10ALDH1A1
SCHEMBL8010356 0.70 BRD4 (0.50) ADRA1DADRA1AADRA1BHSD11B1HSD17B10
SCHEMBL6366534 0.68 ADRA1A (0.45) ADRA1AHSD11B1HSD17B10ALDH1A1TDP1
SCHEMBL6118688 0.68 TDP1 (0.44) HSD17B10ALDH1A1TDP1GAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 US disclosed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 EP disclosed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 WO disclosed