SCHEMBL6366960

SCHEMBL6366960

Cc1nc(-c2ccccc2NCC2=NCCN2)co1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 1.00
▸ ADRA1B P35368 11/20 0.67
▸ ADRA1D P25100 9/20 0.64
▸ ADRA2B P18089 2/20 0.62
▸ ADRA2C P18825 2/20 0.62
▸ ADRA2A P08913 1/20 0.62
▸ 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 SCHEMBL6371837 0.99 ADRA1A (0.98) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6365701 0.80 ADRA1A (1.00) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6366434 0.80 ADRA2B (0.79) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6371084 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6366333 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1DADRA2BADRA2C
Hydrochloric Acid SCHEMBL6367637 0.78 ADRA1A (0.98) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6367122 0.78 ADRA1A (1.00) ADRA1AADRA1BADRA1DADRA2BADRA2C
Hydrochloric Acid SCHEMBL6365956 0.77 ADRA1A (0.98) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL17886788 0.77 ADRA1A (1.00) ADRA1AADRA1BADRA1DADRA2BADRA2C
Hydrochloric Acid SCHEMBL6368360 0.76 ADRA1A (0.97) ADRA1AADRA1BADRA1DADRA2BADRA2C

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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