SCHEMBL6374399

SCHEMBL6374399

NN(CC(F)(F)F)C(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 20/20 0.68
▸ ADRA1B P35368 17/20 0.68
▸ ADRA1D P25100 15/20 0.68

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
SCHEMBL7518388 0.82 ADRA1A (0.74) ADRA1AADRA1BADRA1D
SCHEMBL6367070 0.81 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL7526862 0.80 ADRA1A (0.66) ADRA1AADRA1BADRA1D
SCHEMBL6366503 0.80 ADRA1A (0.78) ADRA1AADRA1BADRA1D
SCHEMBL6425373 0.79 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367463 0.78 ADRA1A (0.79) ADRA1AADRA1BADRA1D
SCHEMBL6367020 0.78 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6371044 0.77 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6371083 0.77 ADRA1A (0.77) ADRA1AADRA1BADRA1D
SCHEMBL6367033 0.77 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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