SCHEMBL7047653

SCHEMBL7047653

Cc1cc2c(c(NC3=NCCO3)c1C)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CFB P00751 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
ADRA2A P08913 6/20 0.36
ADRA1A P35348 6/20 0.36
ADRA2B P18089 4/20 0.36
ADRA2C P18825 4/20 0.36
NLRP3 Q96P20 5/20 0.32
POLB P06746 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
SCHEMBL24130001 0.84 CFB (0.46) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7045798 0.82 TAAR1 (0.52) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9006795 0.81 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047294 0.78 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047298 0.78 CFB (0.41) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047650 0.77 CFB (0.43) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL9788332 0.75 CFB (0.50) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7041570 0.75 TAAR1 (0.42) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7048730 0.74 TAAR1 (0.60) CFBTAAR1ADRA2AADRA1AADRA2B
SCHEMBL7047898 0.72 CFB (0.36) 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 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