SCHEMBL6367449

SCHEMBL6367449

CC(=O)NNC(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.76
▸ ADRA1B P35368 17/20 0.76
▸ ADRA1D P25100 15/20 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
SCHEMBL6367463 0.87 ADRA1A (0.79) ADRA1AADRA1BADRA1D
SCHEMBL6371044 0.86 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6371083 0.86 ADRA1A (0.77) ADRA1AADRA1BADRA1D
SCHEMBL6366901 0.86 ADRA1A (0.72) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6366153 0.85 ADRA1A (0.97) ADRA1AADRA1BADRA1D
SCHEMBL6365883 0.85 ADRA1A (0.71) ADRA1AADRA1BADRA1D
SCHEMBL6367268 0.84 ADRA1A (0.77) ADRA1AADRA1BADRA1D
SCHEMBL6367306 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6373579 0.83 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367033 0.83 ADRA1A (0.76) 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 1 patent. 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
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