SCHEMBL6434960

SCHEMBL6434960

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA2C P18825 9/20 0.61
▸ ADRA2B P18089 8/20 0.61
▸ ADRA1A P35348 15/20 0.52
▸ ADRA1D P25100 13/20 0.52
▸ ADRA1B P35368 11/20 0.52
▸ ADRA2A P08913 8/20 0.52
▸ MAOA P21397 2/20 0.52
▸ MAOB P27338 2/20 0.52
▸ NISCH Q9Y2I1 1/20 0.49

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
SCHEMBL6366284 0.81 ADRA2C (0.64) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6366088 0.80 ADRA2C (0.63) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6439658 0.73 ADRA1A (0.71) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6436107 0.71 ADRA1A (0.74) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL11231308 0.71 ADRA2C (1.00) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6366740 0.71 ADRA1A (0.73) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL11227435 0.70 ADRA2C (0.97) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL6367526 0.70 ADRA1A (0.71) ADRA2CADRA2BADRA1AADRA1DADRA1B
SCHEMBL6367525 0.70 ADRA1A (0.64) ADRA2CADRA2BADRA1AADRA1DADRA1B
Hydrochloric Acid SCHEMBL9655530 0.69 ADRA2C (0.76) ADRA2CADRA2BADRA1AADRA1DADRA1B

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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