SCHEMBL7524259

SCHEMBL7524259

CCN(CC)C(=O)c1ccccc1NCC1=NCCN1.O=C(c1ccccc1NCC1=NCCN1)N1CCOCC1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.76
▸ ADRA1B P35368 16/20 0.76
▸ ADRA1D P25100 14/20 0.76

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
SCHEMBL6365677 0.91 ADRA1A (0.81) ADRA1AADRA1BADRA1D
SCHEMBL6425373 0.87 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367118 0.82 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6367640 0.81 ADRA1A (0.87) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6367644 0.81 ADRA1A (0.87) ADRA1AADRA1BADRA1D
SCHEMBL6366182 0.81 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6366241 0.81 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6366148 0.78 ADRA1A (0.65) ADRA1AADRA1BADRA1D
SCHEMBL6367020 0.78 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Fumaric Acid SCHEMBL6425260 0.77 ADRA1A (0.88) ADRA1AADRA1BADRA1D

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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