SCHEMBL7048853

SCHEMBL7048853

CCc1c(C)cccc1NC1=NCCO1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.52
CFB P00751 1/20 0.45
ADRA2A P08913 13/20 0.39
ADRA2B P18089 12/20 0.39
ADRA2C P18825 12/20 0.39
ADRA1A P35348 6/20 0.39
HTR1D P28221 2/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL7043901 0.86 TAAR1 (0.43) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL9788292 0.84 TAAR1 (0.42) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL7046036 0.82 TAAR1 (0.57) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL7047648 0.82 TAAR1 (0.56) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL9788279 0.81 TAAR1 (0.41) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL7045608 0.80 TAAR1 (0.46) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL9788281 0.78 ADRA2A (0.40) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL9788302 0.77 TAAR1 (0.40) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL11440748 0.77 TAAR1 (0.75) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL9788294 0.75 ADRA2A (0.40) TAAR1CFBADRA2AADRA2BADRA2C

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