SCHEMBL6365861

SCHEMBL6365861

COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ ADRA1D P25100 17/20 1.00
▸ ADRA1B P35368 17/20 1.00
▸ ADRA2A P08913 11/20 1.00
▸ ADRA2C P18825 12/20 0.73
▸ ADRA2B P18089 1/20 0.47

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
Fumaric Acid SCHEMBL6367037 0.92 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6367047 0.92 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6366004 0.84 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6366946 0.83 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL5612493 0.83 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
SCHEMBL6315485 0.80 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6366833 0.77 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6366823 0.77 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6372725 0.76 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2C
Fumaric Acid SCHEMBL6372718 0.76 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2C

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 5 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 claimed
JP-2002543187-A — — 2002-12-17 — — JP claimed
EP-1175406-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2002-01-30 — — EP claimed
WO-2000066563-A1 IMIDAZOLINE DERIVATIVES AS ALPHA-1A ADRENOCEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2000-11-09 — — WO claimed
US-6884801-B1 Imidazoline derivatives as alpha-1A adrenoceptor ligands SMITHKLINE BEECHAM CORPORATION (US) 2005-04-26 — — US disclosed
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