SCHEMBL6371063

SCHEMBL6371063

c1ccc(-c2cnccn2)c(NCC2=NCCN2)c1

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 15/20 1.00
▸ ADRA1B P35368 15/20 1.00
▸ ADRA2A P08913 1/20 0.66
▸ ADRA2B P18089 1/20 0.66
▸ ADRA2C P18825 1/20 0.66
▸ MAOA P21397 1/20 0.66
▸ MAOB P27338 1/20 0.66

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
Hydrochloric Acid SCHEMBL6368360 0.84 ADRA1A (0.97) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6372617 0.81 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL17886788 0.80 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366864 0.78 ADRA1A (0.68) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6372622 0.78 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6374061 0.78 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366434 0.77 ADRA2B (0.79) ADRA1AADRA1DADRA1BADRA2AADRA2B
SCHEMBL6366752 0.77 ADRA2B (0.79) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL6367045 0.77 ADRA1A (0.98) ADRA1AADRA1DADRA1BADRA2AADRA2B
Hydrochloric Acid SCHEMBL6374462 0.77 ADRA1A (0.98) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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