SCHEMBL7046475

SCHEMBL7046475

CCC1CCCc2c(NC3=NCCO3)cccc21

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 8/20 0.44
ADRA2B P18089 7/20 0.44
ADRA2C P18825 7/20 0.44
ADRA1A P35348 4/20 0.44
TAAR1 Q96RJ0 1/20 0.40
CFB P00751 1/20 0.37

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
SCHEMBL8993312 0.89 ADRA2A (0.43) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047687 0.84 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7048861 0.82 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL9006740 0.75 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7043892 0.75 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047719 0.75 ADRA1A (0.39) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7042987 0.74 ADRA2A (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7046794 0.72 TRPV1 (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047731 0.71 ADRA2A (0.40) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7043711 0.71 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1

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 5 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-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