SCHEMBL6366434

SCHEMBL6366434

Cc1ccccc1-c1ccccc1NCC1=NCCN1

nearest known ligand 0.79

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA2B P18089 2/20 0.79
▸ ADRA2C P18825 2/20 0.79
▸ ADRA1A P35348 19/20 0.75
▸ ADRA1D P25100 8/20 0.71
▸ ADRA2A P08913 1/20 0.71
▸ MAOA P21397 1/20 0.71
▸ MAOB P27338 1/20 0.71
▸ ADRA1B P35368 11/20 0.70

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 SCHEMBL6366670 0.89 ADRA2B (0.64) ADRA2BADRA2CADRA1AADRA1DADRA2A
Fumaric Acid SCHEMBL6366675 0.89 ADRA2B (0.64) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL6366752 0.83 ADRA2B (0.79) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL17886788 0.83 ADRA1A (1.00) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL10965109 0.83 ADRA2C (0.78) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL6367766 0.83 ADRA1A (0.66) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL6372617 0.82 ADRA1A (1.00) ADRA2BADRA2CADRA1AADRA1DADRA2A
Hydrochloric Acid SCHEMBL9654962 0.82 ADRA2C (0.76) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL6368369 0.81 ADRA1A (0.74) ADRA2BADRA2CADRA1AADRA1DADRA2A
SCHEMBL11157947 0.81 ADRA2C (0.74) ADRA2BADRA2CADRA1AADRA1DADRA2A

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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