SCHEMBL7045798

SCHEMBL7045798

Cc1ccc2c(c1NC1=NCCO1)CCCC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.52
CFB P00751 1/20 0.48
NLRP3 Q96P20 1/20 0.39
ADRA2A P08913 11/20 0.39
ADRA2B P18089 9/20 0.39
ADRA2C P18825 9/20 0.39
ADRA1A P35348 8/20 0.39
POLB P06746 1/20 0.36
STAT3 P40763 1/20 0.36
RAPGEF4 Q8WZA2 1/20 0.31
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
TSHR P16473 2/20 0.30
GMNN O75496 1/20 0.30
CYP1A2 P05177 1/20 0.30
HTR1A P08908 1/20 0.30
CYP2C9 P11712 1/20 0.30
OPRK1 P41145 1/20 0.30
HIF1A Q16665 1/20 0.30
NISCH Q9Y2I1 1/20 0.30

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
SCHEMBL7041570 0.84 TAAR1 (0.42) TAAR1CFBNLRP3ADRA2AADRA2B
SCHEMBL7044884 0.83 TAAR1 (0.47) TAAR1CFBNLRP3ADRA2AADRA2B
SCHEMBL7048794 0.82 TAAR1 (0.49) TAAR1CFBNLRP3ADRA2AADRA2B
SCHEMBL7047653 0.82 CFB (0.47) TAAR1CFBNLRP3ADRA2AADRA2B
SCHEMBL7047294 0.79 CFB (0.50) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL7048125 0.79 TAAR1 (0.46) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL24130001 0.79 CFB (0.46) TAAR1CFBNLRP3ADRA2AADRA2B
SCHEMBL7048730 0.79 TAAR1 (0.60) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL7049208 0.78 TAAR1 (0.50) TAAR1CFBADRA2AADRA2BADRA2C
SCHEMBL11440748 0.77 TAAR1 (0.75) TAAR1CFBADRA2AADRA2BADRA2C

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