SCHEMBL6366284

SCHEMBL6366284

C[S+]([O-])c1ccccc1NCC1=NCCN1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 10/20 0.64
▸ ADRA2B P18089 8/20 0.64
▸ ADRA1A P35348 16/20 0.61
▸ ADRA1D P25100 15/20 0.61
▸ ADRA1B P35368 14/20 0.61
▸ ADRA2A P08913 9/20 0.60
▸ MAOA P21397 2/20 0.58
▸ MAOB P27338 2/20 0.58
▸ NISCH Q9Y2I1 1/20 0.55

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 SCHEMBL6366088 0.99 ADRA2C (0.63) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6434960 0.81 ADRA2C (0.61) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6365916 0.76 ADRA1A (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL11231308 0.76 ADRA2C (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11227435 0.74 ADRA2C (0.97) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6366434 0.74 ADRA2B (0.79) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL17886788 0.73 ADRA1A (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL10965109 0.73 ADRA2C (0.78) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6315485 0.73 ADRA1A (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6367463 0.73 ADRA1A (0.79) ADRA1AADRA1DADRA1B

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
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