SCHEMBL7047898

SCHEMBL7047898

CCc1cc2c(c(NC3=NCCO3)c1)CCCC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
ADRA2A P08913 6/20 0.34
ADRA2B P18089 6/20 0.34
ADRA2C P18825 6/20 0.34
ADRA1A P35348 4/20 0.34
NLRP3 Q96P20 2/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7047298 0.83 CFB (0.41) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9006795 0.77 CFB (0.41) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7047650 0.77 CFB (0.43) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7042987 0.74 ADRA2A (0.46) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7047731 0.74 ADRA2A (0.40) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9788341 0.74 CFB (0.38) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7047653 0.72 CFB (0.47) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL24130001 0.72 CFB (0.46) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7041570 0.72 TAAR1 (0.42) CFBTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7044968 0.70 NISCH (0.46) CFBTAAR1ADRA2AADRA2BADRA2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724439-B1 USE OF 2-(2ALKYLPHENYLAMINO)OXAZOLINES AND -THIAZOLINES FOR THE MANUFACTURE OF A MEDICAMENT WITH ALPHA 2 ADRENERGIC EFFECT ALLERGAN SALES INC (US) 2003-04-09 EP disclosed
US-5708015-A SENSITIVE ALPHA 2 ADRENERGIC RECEPTORS ALLERGAN (US) 1998-01-13 US disclosed
US-5580892-A ANTIDIARRHETIC, ANTISPASTIC, ANTIEPILEPTIC AGENTS; DIURETICS ALLERGAN 1996-12-03 US disclosed
EP-0724439-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS Allergan (US) 1996-08-07 EP disclosed
WO-1995011021-A1 USE OF 2-(2-ALKYLPHENYLAMINO)-OXAZOLINES, -THIAZOLINES AND -IMIDAZOLINES AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN (US) 1995-04-27 WO disclosed
US-5252595-A Method for reducing or maintaining intraocular pressure in the mammalian eye by administering pharmaceutical compositions containing 2-(2-alkylphenylamino)-oxazolines, 2-(2-alkylphenylamino)-thiazolines and 2-(2-alkylphenylamino)-imidazolines ALLERGAN, INC. (US) 1993-10-12 US disclosed
US-5151440-A Treatment of glaucoma ALLERGAN, INC. (US) 1992-09-29 US disclosed