SCHEMBL6367766

SCHEMBL6367766

COc1ccccc1-c1ccccc1NCC1=NCCN1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 0.66
▸ ADRA1D P25100 14/20 0.66
▸ ADRA2B P18089 2/20 0.66
▸ ADRA2C P18825 2/20 0.66
▸ ADRA2A P08913 1/20 0.66
▸ MAOA P21397 1/20 0.66
▸ MAOB P27338 1/20 0.66
▸ ADRA1B P35368 14/20 0.64

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 SCHEMBL6372118 0.90 ADRA1A (0.58) ADRA1AADRA1DADRA2BADRA2CADRA2A
Fumaric Acid SCHEMBL6372124 0.90 ADRA1A (0.58) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL6366434 0.83 ADRA2B (0.79) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL6366752 0.80 ADRA2B (0.79) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL17886788 0.80 ADRA1A (1.00) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL6372617 0.79 ADRA1A (1.00) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL6366864 0.78 ADRA1A (0.68) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL11162465 0.77 ADRA2A (0.58) ADRA1AADRA1DADRA2BADRA2CADRA2A
Hydrochloric Acid SCHEMBL6368360 0.76 ADRA1A (0.97) ADRA1AADRA1DADRA2BADRA2CADRA2A
SCHEMBL6366894 0.76 ADRA1A (1.00) ADRA1AADRA1DADRA2BADRA2CADRA2A

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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