SCHEMBL7112481

SCHEMBL7112481

C=CCc1ccccc1NC1=NCCO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 15/20 0.47
ADRA2C P18825 15/20 0.47
ADRA2A P08913 14/20 0.42
ADRA1A P35348 2/20 0.42
CFB P00751 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
HTR1A P08908 3/20 0.36
NISCH Q9Y2I1 1/20 0.36
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
KCNH2 Q12809 1/20 0.34

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
SCHEMBL9559073 0.83 ADRA2A (0.47) ADRA2BADRA2CADRA2AADRA1ACFB
SCHEMBL176287 0.76 ADRA2C (0.47) ADRA2BADRA2CADRA1AHTR1AJAK1
SCHEMBL7149172 0.72 MAPK1 (0.55) ADRA2BADRA2CADRA2AADRA1ATAAR1
SCHEMBL7047648 0.72 TAAR1 (0.56) ADRA2BADRA2CADRA2AADRA1ACFB
SCHEMBL7045608 0.71 TAAR1 (0.46) ADRA2BADRA2CADRA2AADRA1ACFB
SCHEMBL7043901 0.71 TAAR1 (0.43) ADRA2BADRA2CADRA2AADRA1ACFB
SCHEMBL11034063 0.71 ADRA2B (0.44) ADRA2BADRA2CJAK1TYK2JAK3
SCHEMBL2754359 0.70 HSD17B10 (0.51) ADRA2BADRA2CADRA2AADRA1ACFB
SCHEMBL30729429 0.70 MAPT (0.45) ADRA2BADRA2CJAK1TYK2JAK3
SCHEMBL6046931 0.70 MAPT (0.45) ADRA2BADRA2CJAK1TYK2JAK3

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 10 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
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-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
US-5151440-A Treatment of glaucoma ALLERGAN, INC. (US) 1992-09-29 US disclosed