SCHEMBL7551250

SCHEMBL7551250

CC(C)COC(=O)Nc1cccc2c1CCCC2c1c[nH]cn1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 5/20 0.46
HTT P42858 1/20 0.39
ADRA1A P35348 1/20 0.38
MAOB P27338 1/20 0.36

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
SCHEMBL7098638 0.90 ADRA2A (0.48) ADRA2AADRA1A
SCHEMBL7098265 0.87 ADRA2A (0.52) ADRA2AADRA1A
SCHEMBL7099202 0.85 ADRA2A (0.44) ADRA2AMAOB
SCHEMBL7102189 0.85 ADRA2A (0.44) ADRA2AADRA1A
SCHEMBL7101021 0.84 ADRA2A (0.50) ADRA2AADRA1A
SCHEMBL7103227 0.83 ADRA2A (0.65) ADRA2AADRA1A
SCHEMBL7101952 0.81 ADRA2A (0.46) ADRA2AADRA1A
SCHEMBL7548274 0.81 ADRA2A (0.51) ADRA2AADRA1A
SCHEMBL7097605 0.81 ADRA2A (0.46) ADRA2AADRA1A
SCHEMBL7100368 0.81 ADRA2A (0.48) ADRA2AADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP claimed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO claimed
EP-1259491-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS Abbott Laboratories (US) 2002-11-27 EP disclosed
WO-2001060802-A1 4-IMIDAZOLE DERIVATIVES OF BENZYL AND RESTRICTED BENZYL SULFONAMIDES, SULFAMIDES, UREAS, CARBAMATES, AND AMIDES AND THEIR USE AS ALPHA-1A AGONISTS ABBOTT LABORATORIES (US) 2001-08-23 WO disclosed