SCHEMBL6372855

SCHEMBL6372855

c1ccc(N2CCCC2)c(NCC2=NCCN2)c1

nearest known ligand 0.97

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 15/20 0.97
▸ ADRA1B P35368 12/20 0.61
▸ ADRA2C P18825 9/20 0.60
▸ ADRA2B P18089 8/20 0.60
▸ ADRA1D P25100 12/20 0.60
▸ ADRA2A P08913 7/20 0.58
▸ 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
SCHEMBL6367052 0.99 ADRA1A (1.00) ADRA1AADRA1BADRA2CADRA2BADRA1D
SCHEMBL6367648 0.80 ADRA1A (0.65) ADRA1AADRA1BADRA2CADRA2BADRA1D
SCHEMBL6367118 0.76 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL11231308 0.76 ADRA2C (1.00) ADRA1AADRA1BADRA2CADRA2BADRA1D
SCHEMBL6366241 0.75 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL11227435 0.74 ADRA2C (0.97) ADRA1AADRA1BADRA2CADRA2BADRA1D
Fumaric Acid SCHEMBL6366721 0.73 ADRA1A (0.57) ADRA1AADRA1BADRA2CADRA2BADRA1D
Fumaric Acid SCHEMBL6366729 0.73 ADRA1A (0.57) ADRA1AADRA1BADRA2CADRA2BADRA1D
SCHEMBL17886788 0.73 ADRA1A (1.00) ADRA1AADRA1BADRA2CADRA2BADRA1D
SCHEMBL6365916 0.73 ADRA1A (1.00) ADRA1AADRA1BADRA2CADRA2BADRA1D

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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