SCHEMBL2337689

SCHEMBL2337689

O=CC(c1cc(F)ccc1F)[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CES2 O00748 2/20 0.39
CES1 P23141 2/20 0.39
PSEN1 P49768 5/20 0.39
PSEN2 P49810 5/20 0.39
APH1B Q8WW43 5/20 0.39
NCSTN Q92542 5/20 0.39
APH1A Q96BI3 5/20 0.39
PSENEN Q9NZ42 5/20 0.39
HSPB1 P04792 3/20 0.33
FBP1 P09467 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HIF1A Q16665 1/20 0.33
VCP P55072 1/20 0.32
VCAM1 P19320 1/20 0.32
CNR1 P21554 1/20 0.32
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA5A P35218 1/20 0.31

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
SCHEMBL2332388 0.80
SCHEMBL27995447 0.76 CNR1 (0.39) ATMTDP1CES2CES1PSEN1
SCHEMBL28136400 0.75 ATM (0.44) ATMTDP1CES2CES1PSEN1
SCHEMBL1444104 0.71 PSEN1 (0.45) ATMTDP1CES2CES1PSEN1
SCHEMBL20551270 0.71 CES2 (0.43) CES2CES1PSEN1PSEN2APH1B
SCHEMBL6442608 0.71 CES2 (0.43) CES2CES1PSEN1PSEN2APH1B
SCHEMBL5075505 0.71 CES2 (0.43) CES2CES1PSEN1PSEN2APH1B
SCHEMBL17465534 0.68 CES2 (0.45) ATMTDP1CES2CES1PSEN1
SCHEMBL826770 0.68 CES2 (0.45) ATMTDP1CES2CES1PSEN1
SCHEMBL18925501 0.68 PSEN1 (0.44) ATMTDP1CES2CES1PSEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2909199-A1 2-PHENYL-5-HETEROCYCLYL-TETRAHYDRO-2H-PYRAN-3-AMINE COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND ITS ASSOCIATED DISORDERS Cadila Healthcare Limited (IN) 2015-08-26 EP disclosed
WO-2014061031-A1 2-PHENYL-5-HETEROCYCLYL-TETRAHYDRO-2H-PYRAN-3-AMINE COMPOUNDS FOR USE IN THE TREATMENT OF DIABETES AND ITS ASSOCIATED DISORDERS CADILA HEALTHCARE LIMITED (IN) 2014-04-24 WO disclosed
EP-2358717-A1 Aminotetrahydropyrans as dipeptidyl peptidase-iv inhibitors for the treatment or prevention of diabetes Merck Sharp & Dohme Corp. (US) 2011-08-24 EP disclosed
WO-2010056708-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME CORP. (US) 2010-05-20 WO disclosed
EP-2094081-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2009-09-02 EP disclosed
WO-2009014676-A1 NOVEL CRYSTALLINE FORM OF A DIHYDROCHLORIDE SALT OF A DIPEPTIDYL PEPTIDASE-IV INHIBITOR MERCK & CO., INC. (US) 2009-01-29 WO disclosed
EP-2001883-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2008-12-17 EP disclosed
WO-2008060488-A1 TRICYCLIC HETEROAROMATIC COMPOUNDS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2008-05-22 WO disclosed
WO-2007126745-A2 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2007-11-08 WO disclosed