SCHEMBL6366182

SCHEMBL6366182

CCCN(CC)C(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1B P35368 16/20 0.87
▸ ADRA1D P25100 14/20 0.87

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
SCHEMBL6425373 0.93 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367034 0.89 ADRA1A (0.81) ADRA1AADRA1BADRA1D
SCHEMBL6368309 0.88 ADRA1A (0.83) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6367644 0.87 ADRA1A (0.87) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6367640 0.87 ADRA1A (0.87) ADRA1AADRA1BADRA1D
SCHEMBL6367020 0.85 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367070 0.83 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6371164 0.81 ADRA1A (0.73) ADRA1AADRA1BADRA1D
SCHEMBL6371788 0.81 ADRA1A (0.76) ADRA1AADRA1BADRA1D
SCHEMBL7524259 0.81 ADRA1A (0.76) ADRA1AADRA1BADRA1D

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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