SCHEMBL2731209

SCHEMBL2731209

CC(c1ccc(Cl)cc1)C(N)[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
PRCP P42785 5/20 0.38
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
FBP1 P09467 2/20 0.35
BRD4 O60885 1/20 0.35
FFAR2 O15552 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GABBR2 O75899 1/20 0.34
GABBR1 Q9UBS5 1/20 0.34
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DPP4 P27487 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL264810 0.76 ADRB2 (0.46) ADRB2SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL1123827 0.73 BRD4 (0.46) ADRB2SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL11949354 0.72 ADRB2 (0.62) ADRB2PRCPSLC6A2SLC6A3HPGD
SCHEMBL27339647 0.70 ADRB2 (0.41) ADRB2SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL115819 0.69 ALDH1A1 (0.40) ADRB2SLC6A2SLC6A3ALDH1A1MAPT
SCHEMBL22559530 0.68 FBP1 (0.39) ADRB2ALDH1A1MAPTHPGDFBP1
SCHEMBL16687360 0.68 ADRB2 (0.56) ADRB2PRCPSLC6A2SLC6A3HPGD
SCHEMBL19577176 0.68 ADRB2 (0.56) ADRB2PRCPSLC6A2SLC6A3HPGD
SCHEMBL177057 0.68 ADRB2 (1.00) ADRB2SLC6A2SLC6A3HPGDBRD4
SCHEMBL436846 0.68 ADRB2 (0.56) ADRB2PRCPSLC6A2SLC6A3HPGD

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005037215-A2 COMPOSITIONS AND METHODS FOR ENHANCING COGNITIVE FUNCTION AND SYNAPTIC PLASTICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-04-28 WO claimed
WO-2012054816-A2 METHODS OF DELAYING AND TREATING DIABETES MITOKINE BIOSCIENCE, LLC (US) 2012-04-26 WO disclosed
WO-2009121496-A2 USE OF A BIOLOGICALLY ACTIVE BLOOD SERUM FOR THE TREATMENT OF A DISORDER CHARCTERIZED IN A REDUCED FUNCTION OF A GABA RECEPTOR OWEN HOLDING LTD. (GB) 2009-10-08 WO disclosed
EP-1729740-A2 PHARMACEUTICAL DOSAGE FORMS HAVING IMMEDIATE RELEASE AND/OR CONTROLLED RELEASE PROPERTIES THAT CONTAIN A GABA<SB>B</SB> RECEPTOR AGONIST Impax Laboratories, Inc. (US) 2006-12-13 EP disclosed
US-20060241134-A1 Pharmaceutical combinations of a proton pump inhibitor and a compound which modifies gastrointestinal motility ALTANA PHARMA GA (DE) 2006-10-26 US disclosed
EP-1401423-A4 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH DEPOMED DEV LTD (BM) 2006-08-16 EP disclosed
WO-2005097079-A2 CONTROLLED RELEASE DOSAGE FOR GABA RECEPTOR AGONIST IMPAX LABORATORIES, INC. (US) 2005-10-20 WO disclosed
WO-2005037215-A2 COMPOSITIONS AND METHODS FOR ENHANCING COGNITIVE FUNCTION AND SYNAPTIC PLASTICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2005-04-28 WO disclosed
EP-1401423-A1 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH Depomed Development, Ltd (GB) 2004-03-31 EP disclosed
WO-2002096404-A1 METHOD OF TREATING GASTROESOPHAGEAL REFLUX DISEASE AND NOCTURNAL ACID BREAKTHROUGH DEPOMED DEVELOPMENT LTD (GB) 2002-12-05 WO disclosed