SCHEMBL6368060

SCHEMBL6368060

CCn1nccc1-c1ccccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 1.00
▸ ADRA1D P25100 12/20 0.75
▸ ADRA1B P35368 11/20 0.75
▸ ADRA2A P08913 1/20 0.60
▸ ADRA2B P18089 1/20 0.60
▸ ADRA2C P18825 1/20 0.60
▸ MAOA P21397 1/20 0.60
▸ MAOB P27338 1/20 0.60

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 SCHEMBL6367341 0.91 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6367357 0.91 ADRA1A (0.83) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6367665 0.86 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6371175 0.85 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6368405 0.83 ADRA1A (0.73) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366631 0.82 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366466 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6371845 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6366712 0.78 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2B
Fumaric Acid SCHEMBL6366703 0.78 ADRA1A (0.84) ADRA1AADRA1DADRA1BADRA2AADRA2B

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 7 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
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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