SCHEMBL4697922

SCHEMBL4697922

CC(N)CCc1cc(F)c(F)cc1F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.55
SLC6A2 P23975 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
FAP Q12884 1/20 0.34
DPP8 Q6V1X1 1/20 0.34
DPP9 Q86TI2 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 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
Hydrochloric Acid SCHEMBL13730064 0.98 DPP4 (0.53) DPP4SLC6A2SLC6A4SLC6A3HTR2A
Phosphoric Acid SCHEMBL13730179 0.89 DPP4 (0.46) DPP4SLC6A2SLC6A4SLC6A3FAP
Phosphoric Acid SCHEMBL14128619 0.88 DPP4 (0.45) DPP4SLC6A2SLC6A4SLC6A3FAP
Trifluoroacetic Acid SCHEMBL3134971 0.85 DPP4 (0.42) DPP4SLC6A2SLC6A4SLC6A3FAP
Adipic Acid SCHEMBL13729711 0.84 GABRP (0.44) DPP4FAPDPP8DPP9DPP7
SCHEMBL15091259 0.82 DPP4 (0.42) DPP4SLC6A2SLC6A4SLC6A3HTR2A
SCHEMBL7140782 0.79 TYR (0.52) DPP4SLC6A4HTR2AHTR2CMAOB
SCHEMBL14071704 0.78 DPP4 (0.70) DPP4HTR2AHTR2C
Hydrochloric Acid SCHEMBL3121618 0.77 DPP4 (0.68) DPP4HTR2AHTR2C
Gentisic Acid SCHEMBL13729892 0.77 CA1 (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2681220-A2 NOVEL SALTS OF DPP-IV INHIBITOR Cadila Healthcare Limited (IN) 2014-01-08 EP claimed
WO-2012147092-A2 NOVEL SALTS OF DPP-IV INHIBITOR CADILA HEALTHCARE LIMITED (IN) 2012-11-01 WO claimed
EP-1973918-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES, LTD. (IN) 2008-10-01 EP claimed
WO-2007077508-A2 DERIVATIVES OF BETA-AMINO ACID AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-07-12 WO claimed
EP-4337192-A1 COMPOSITIONS FOR USE IN THE PREVENTION AND/ OR TREATMENT OF INTELLECTUAL DISABILITY AND NEURODEGENERATIVE DISEASES IN A SUBJECT WITH DOWN SYNDROME Università degli Studi di Roma "La Sapienza" (IT) 2024-03-20 EP disclosed
WO-2022238779-A1 COMPOSITIONS FOR USE IN THE PREVENTION AND/ OR TREATMENT OF INTELLECTUAL DISABILITY AND NEURODEGENERATIVE DISEASES IN A SUBJECT WITH DOWN SYNDROME UNIVERSITA' DEGLI STUDI DI ROMA "LA SAPIENZA" (IT) 2022-11-17 WO disclosed
CN-105073983-B Immobilization transaminase and preparation and the method for using immobilization transaminase 默沙东公司 2018-09-18 CN disclosed
CN-107961377-A Combination treatment 勃林格殷格翰国际有限公司 2018-04-27 CN disclosed
CN-107115530-A Gene diabetes mellitus type utilizes the treatment of DPP IV inhibitor such as BI 1356 勃林格殷格翰国际有限公司 2017-09-01 CN disclosed
CN-106975074-A Treating diabetes 勃林格殷格翰国际有限公司 2017-07-25 CN disclosed
CN-104788456-A Novel salts of DDP-IV inhibitor CADILA HEALTHCARE LTD 2015-07-22 CN disclosed
EP-2800555-A2 PHARMACEUTICAL COMPOSITIONS OF COMBINATIONS OF DIPEPTIDYL PEPTIDASE-4 INHIBITORS WITH ATORVASTATIN Merck Sharp & Dohme Corp. (US) 2014-11-12 EP disclosed
EP-2681220-A2 NOVEL SALTS OF DPP-IV INHIBITOR Cadila Healthcare Limited (IN) 2014-01-08 EP disclosed
EP-2681220-A2 NOVEL SALTS OF DPP-IV INHIBITOR Cadila Healthcare Limited (IN) 2014-01-08 EP disclosed
WO-2013065066-A1 PROCESSES FOR PREPARING 4-OXO-4-[3-(TRIFLUOROMETHYL)-5,6- DIHYDRO [L,2,41-TRIAZOLO[43-A]PYRAZIN-7(8H)-YL]-L-(2,4,5- TRIFLUOROPHENYL)BUTAN-2-AMINE CADILA HEALTHCARE LIMITED (IN) 2013-05-10 WO disclosed
WO-2013062902-A2 PHARMACEUTICAL COMPOSITIONS OF COMBINATIONS OF DIPEPTIDYL PEPTIDASE-4 INHIBITORS WITH ATORVASTATIN MERCK SHARP & DOHME CORP. (US) 2013-05-02 WO disclosed
WO-2012147092-A3 NOVEL SALTS OF DPP-IV INHIBITOR CADILA HEALTHCARE LIMITED (IN) 2013-03-14 WO disclosed
WO-2012147092-A2 NOVEL SALTS OF DPP-IV INHIBITOR CADILA HEALTHCARE LIMITED (IN) 2012-11-01 WO disclosed
WO-2012147092-A2 NOVEL SALTS OF DPP-IV INHIBITOR CADILA HEALTHCARE LIMITED (IN) 2012-11-01 WO disclosed