SCHEMBL6366626

SCHEMBL6366626

CCCCCNC(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 0.94

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.94
▸ ADRA1B P35368 15/20 0.94
▸ ADRA1D P25100 14/20 0.94

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
SCHEMBL6366831 0.97 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6367046 0.96 ADRA1A (0.98) ADRA1AADRA1BADRA1D
SCHEMBL6367171 0.92 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6367642 0.91 ADRA1A (0.98) ADRA1AADRA1BADRA1D
SCHEMBL6367306 0.87 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6365559 0.84 ADRA1A (0.74) ADRA1AADRA1BADRA1D
SCHEMBL6367193 0.83 ADRA1A (0.76) ADRA1AADRA1BADRA1D
SCHEMBL6371044 0.82 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6367748 0.82 ADRA1A (0.74) ADRA1AADRA1BADRA1D
SCHEMBL7529066 0.82 ADRA1A (0.79) 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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