SCHEMBL7042987

SCHEMBL7042987

c1cc2c(c(NC3=NCCO3)c1)CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.46
ADRA2B P18089 2/20 0.46
ADRA2C P18825 2/20 0.46
ADRA1A P35348 2/20 0.46
TAAR1 Q96RJ0 1/20 0.44
NISCH Q9Y2I1 1/20 0.44
MEN1 O00255 1/20 0.43
KCNK2 O95069 1/20 0.43
KCNK10 P57789 1/20 0.43
KMT2A Q03164 1/20 0.43
KCNK18 Q7Z418 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCR4 P51679 1/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 1/20 0.41

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
SCHEMBL7046794 0.80 TRPV1 (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7043711 0.79 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7044968 0.78 NISCH (0.46) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047298 0.77 CFB (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047687 0.77 ADRA2A (0.47) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL12101466 0.77 MEN1 (0.56) NISCHMEN1KCNK2KCNK10KMT2A
SCHEMBL7047984 0.76 ADRA2A (0.49) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7043892 0.76 ADRA2A (0.41) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7047719 0.76 ADRA1A (0.39) ADRA2AADRA2BADRA2CADRA1ATAAR1
SCHEMBL7045798 0.75 TAAR1 (0.52) 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 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