SCHEMBL6367130

SCHEMBL6367130

CCCSc1cc(F)ccc1NCC1=NCCN1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADRA1D P25100 18/20 0.74
▸ ADRA1A P35348 18/20 0.74
▸ ADRA1B P35368 18/20 0.74
▸ ADRA2C P18825 18/20 0.74
▸ ADRA2A P08913 14/20 0.74
▸ ADRA2B P18089 12/20 0.74

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
Propane SCHEMBL6367133 0.78 ADRA1A (0.66) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6367019 0.73 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6367193 0.72 ADRA1A (0.76) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL5612493 0.71 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRA2CADRA2A
Hydrochloric Acid SCHEMBL6367748 0.71 ADRA1A (0.74) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6365916 0.71 ADRA1A (1.00) ADRA1DADRA1AADRA1BADRA2CADRA2A
Fumaric Acid SCHEMBL6373334 0.68 ADRA1A (0.84) ADRA1DADRA1AADRA1BADRA2CADRA2A
Fumaric Acid SCHEMBL6373325 0.68 ADRA1A (0.84) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6439658 0.68 ADRA1A (0.71) ADRA1DADRA1AADRA1BADRA2CADRA2A
SCHEMBL6366856 0.68 ADRA1A (0.74) ADRA1DADRA1AADRA1BADRA2CADRA2A

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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