SCHEMBL7044968

SCHEMBL7044968

Cc1ccc(NC2=NCCO2)c2c1CCCC2

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.46
TAAR1 Q96RJ0 1/20 0.45
ADRA2A P08913 10/20 0.44
ADRA2B P18089 8/20 0.44
ADRA2C P18825 8/20 0.44
ADRA1A P35348 7/20 0.44
CFB P00751 1/20 0.44
POLB P06746 1/20 0.32
GMNN O75496 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
OPRK1 P41145 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL7047731 0.83 ADRA2A (0.40) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7047650 0.81 CFB (0.43) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7044957 0.80 TAAR1 (0.48) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7042987 0.78 ADRA2A (0.46) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7045798 0.77 TAAR1 (0.52) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL7047294 0.76 CFB (0.50) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9788291 0.76 TAAR1 (0.45) NISCHTAAR1ADRA2AADRA2BADRA2C
SCHEMBL9006795 0.75 CFB (0.41) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7047298 0.75 CFB (0.41) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7047648 0.74 TAAR1 (0.56) TAAR1ADRA2AADRA2BADRA2CADRA1A

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