SCHEMBL7047719

SCHEMBL7047719

CCC1CCc2cccc(NC3=NCCO3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
TAAR1 Q96RJ0 1/20 0.37
TRPV1 Q8NER1 8/20 0.36
HTR1A P08908 3/20 0.34
HTR7 P34969 3/20 0.34
DRD2 P14416 2/20 0.34
HTR1D P28221 2/20 0.34
DRD3 P35462 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
HTR1B P28222 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR2B P41595 1/20 0.34
HTR5A P47898 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
SCHEMBL7043892 0.91 ADRA2A (0.41) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7043711 0.84 ADRA2A (0.41) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL8993312 0.82 ADRA2A (0.43) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7046794 0.78 TRPV1 (0.46) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7042987 0.76 ADRA2A (0.46) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7046475 0.75 ADRA2A (0.44) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7048861 0.74 ADRA2A (0.46) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7047687 0.71 ADRA2A (0.47) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7047984 0.70 ADRA2A (0.49) ADRA1AADRA2AADRA2BADRA2CTAAR1
SCHEMBL7048853 0.67 TAAR1 (0.52) ADRA1AADRA2AADRA2BADRA2CTAAR1

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