SCHEMBL4465428

SCHEMBL4465428

CC(=O)N1CCCC1C#N

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.62
PREP P48147 1/20 0.60
DPP8 Q6V1X1 3/20 0.57
DPP9 Q86TI2 3/20 0.57
CHRM2 P08172 3/20 0.54
CHRM4 P08173 3/20 0.54
CHRM5 P08912 3/20 0.54
CHRM1 P11229 3/20 0.54
CHRM3 P20309 3/20 0.54

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
SCHEMBL1239549 1.00 DPP4 (0.62) DPP4PREPDPP8DPP9CHRM2
SCHEMBL11469779 0.98 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL5964647 0.98 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL5964641 0.98 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Hydrochloric Acid SCHEMBL27511587 0.98 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
Ammonia Solution, Strong SCHEMBL27597606 0.98 DPP4 (0.60) DPP4PREPDPP8DPP9CHRM2
SCHEMBL11820231 0.94 CHRM2 (0.57) DPP4PREPDPP8DPP9CHRM2
SCHEMBL11451025 0.92 CHRM2 (0.55) DPP4PREPDPP8DPP9CHRM2
SCHEMBL1819999 0.82 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL2269972 0.82 CHRM2 (0.56) CHRM2CHRM4CHRM5CHRM1CHRM3

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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103508931-A Hexahydropentaleno derivatives, preparation methods and applications in medicine thereof GUANGDONG HEC PHARMACEUTICAL 2014-01-15 CN claimed
EP-1953162-B9 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-10-31 EP claimed
EP-1953162-B1 Xanthin derivatives, their production and utilisation as medicine BOEHRINGER INGELHEIM PHARMA (DE) 2012-06-20 EP claimed
EP-2079469-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA Novartis AG (CH) 2009-07-22 EP claimed
EP-1928499-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS Novartis AG (CH) 2008-06-11 EP claimed
WO-2008057337-A2 USE OF DIPEPTIDYL PEPTIDASE IV INHIBITORS FOR PREVENTING, DELAYING OR REDUCING THE OCCURANCE OF EDEMA NOVARTIS AG (CH) 2008-05-15 WO claimed
WO-2007035665-A1 USE OF A DPP-IV INHIBITOR TO REDUCE HYPOGLYCEMIC EVENTS NOVARTIS AG (CH) 2007-03-29 WO claimed
EP-1732550-A2 DPP-IV INHIBITORS FOR TREATING NEURODEGENERATION AND COGNITIVE DISORDERS Novartis AG (CH) 2006-12-20 EP claimed
WO-2005079795-A2 DPP-IV INHIBITORS FOR TREATING NEURODEGENERATION AND COGNITIVE DISORDERS NOVARTIS AG (CH) 2005-09-01 WO claimed
WO-2021116897-A1 PROCESS FOR THE PREPARATION OF VILDAGLIPTIN OPTIMUS DRUGS (P) LTD (IN) 2021-06-17 WO disclosed
WO-2017027768-A1 COMPOSITIONS AND METHODS FOR TREATING TUBERCULOSIS THE BROAD INSTITUTE, INC. (US) 2017-02-16 WO disclosed
CN-103508931-A Hexahydropentaleno derivatives, preparation methods and applications in medicine thereof GUANGDONG HEC PHARMACEUTICAL 2014-01-15 CN disclosed
EP-1910385-B1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS INC (US) 2013-07-24 EP disclosed
CN-101037409-B Process for the preparation of n-substituted 2-cyanopyrrolidines NOVARTIS AG 2013-03-27 CN disclosed
EP-1487807-A2 NEW COMPOUNDS Sanofi-Aventis (FR) 2004-12-22 EP disclosed
EP-1441719-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-08-04 EP disclosed
WO-2004052362-A1 COMBINATION OF AN DPP-IV INHIBITOR AND A PPAR-ALPHA COMPOUND NOVARTIS AG (CH) 2004-06-24 WO disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
WO-2003074500-A2 N-AMINOACETYL-PYRROLIDINE-2-CARBONITRILES AND THEIR USE AS DDP-IV INHIBITORS SANOFI-AVENTIS (FR) 2003-09-12 WO disclosed
WO-2003037327-A1 N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS F. HOFFMANN-LA-ROCHE AG (CH) 2003-05-08 WO disclosed