SCHEMBL6366740

SCHEMBL6366740

C=CCNC(=O)c1ccccc1NCC1=NCCN1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 19/20 0.73
▸ ADRA1B P35368 17/20 0.73
▸ ADRA1D P25100 15/20 0.73
▸ ADRA2B P18089 1/20 0.60
▸ ADRA2C P18825 1/20 0.60

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 SCHEMBL6367526 0.99 ADRA1A (0.71) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6367306 0.84 ADRA1A (1.00) ADRA1AADRA1BADRA1D
SCHEMBL6367525 0.83 ADRA1A (0.64) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6367171 0.82 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6366269 0.82 ADRA1A (0.63) ADRA1AADRA1BADRA1DADRA2BADRA2C
SCHEMBL6371044 0.82 ADRA1A (1.00) ADRA1AADRA1BADRA1D
Hydrochloric Acid SCHEMBL6367642 0.81 ADRA1A (0.98) ADRA1AADRA1BADRA1DADRA2C
Hydrochloric Acid SCHEMBL6366153 0.81 ADRA1A (0.97) ADRA1AADRA1BADRA1D
SCHEMBL6367801 0.81 ADRA1A (0.85) ADRA1AADRA1BADRA1D
SCHEMBL6366831 0.81 ADRA1A (1.00) 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 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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