SCHEMBL6365916

SCHEMBL6365916

CSc1ccccc1NCC1=NCCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 1.00
▸ ADRA1D P25100 16/20 1.00
▸ ADRA1B P35368 15/20 1.00
▸ ADRA2C P18825 15/20 0.97
▸ ADRA2B P18089 14/20 0.97
▸ ADRA2A P08913 14/20 0.97
▸ MAOA P21397 1/20 0.62
▸ MAOB P27338 1/20 0.62

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 SCHEMBL9655720 0.88 ADRA1A (0.81) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL6367019 0.87 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL6439658 0.81 ADRA1A (0.71) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL11231308 0.79 ADRA2C (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2B
Hydrochloric Acid SCHEMBL11227435 0.78 ADRA2C (0.97) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL6366434 0.77 ADRA2B (0.79) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL10965109 0.77 ADRA2C (0.78) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL17886788 0.77 ADRA1A (1.00) ADRA1AADRA1DADRA1BADRA2CADRA2B
SCHEMBL6367463 0.76 ADRA1A (0.79) ADRA1AADRA1DADRA1B
SCHEMBL6366284 0.76 ADRA2C (0.64) ADRA1AADRA1DADRA1BADRA2CADRA2B

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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