SCHEMBL7603676

SCHEMBL7603676

CCCN(CC)C(=O)c1ccccc1N(F)CC1=NCCN1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 16/20 0.62
▸ ADRA1B P35368 12/20 0.53
▸ ADRA1D P25100 11/20 0.53
▸ TP53 P04637 1/20 0.44

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 SCHEMBL7632730 0.80 ADRA1A (0.45) ADRA1AADRA1BADRA1D
SCHEMBL7639413 0.80 ADRA1A (0.46) ADRA1AADRA1BADRA1D
SCHEMBL7584002 0.79 ADRA1A (0.45) ADRA1AADRA1BADRA1D
SCHEMBL6366182 0.77 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7630026 0.76 ADRA1A (0.46) ADRA1AADRA1BADRA1D
SCHEMBL6425373 0.69 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL7633527 0.69 TAAR1 (0.45) ADRA1AADRA1BADRA1D
SCHEMBL6367034 0.67 ADRA1A (0.81) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL7632791 0.66 ADRA1A (0.53) ADRA1AADRA1BADRA1DTP53
Fumaric Acid SCHEMBL7640065 0.65 ADRA1A (0.41) 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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