SCHEMBL7043901

SCHEMBL7043901

CCc1cccc(NC2=NCCO2)c1CC

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
DHFR P00374 1/20 0.41
ADRA2A P08913 9/20 0.39
ADRA2B P18089 7/20 0.39
ADRA2C P18825 7/20 0.39
ADRA1A P35348 4/20 0.39
CFB P00751 1/20 0.39
KCNH2 Q12809 1/20 0.34
SCN5A Q14524 1/20 0.34
CLCN2 P51788 1/20 0.33
TSHR P16473 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 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
SCHEMBL7045608 0.86 TAAR1 (0.46) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7048853 0.86 TAAR1 (0.52) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788292 0.84 TAAR1 (0.42) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9559073 0.77 ADRA2A (0.47) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788302 0.77 TAAR1 (0.40) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL29196078 0.76 DHFR (0.50) TAAR1DHFRKCNH2SCN5ACLCN2
SCHEMBL9788279 0.75 TAAR1 (0.41) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788281 0.75 ADRA2A (0.40) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL9788271 0.73 TNIK (0.45) TAAR1ADRA2AADRA2BADRA2CADRA1A
SCHEMBL7046036 0.73 TAAR1 (0.57) TAAR1DHFRADRA2AADRA2BADRA2C

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