SCHEMBL7047925

SCHEMBL7047925

Cc1cc2c(c(NC3=NCCO3)c1)CC(C)CC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.35
TAAR1 Q96RJ0 1/20 0.33
ADRA2A P08913 5/20 0.33
ADRA1A P35348 5/20 0.33
ADRA2B P18089 4/20 0.33
ADRA2C P18825 4/20 0.33
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
NISCH Q9Y2I1 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
SCHEMBL7045605 0.90 TAAR1 (0.36) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7043711 0.81 ADRA2A (0.41) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047298 0.81 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7046001 0.77 ADRA2A (0.38) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7044884 0.77 TAAR1 (0.47) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7045481 0.76 ADRA2A (0.40) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7046794 0.75 TRPV1 (0.46) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7048794 0.71 TAAR1 (0.49) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047787 0.70 CFB (0.46) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788263 0.68 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRA2B

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