SCHEMBL1380992

SCHEMBL1380992

C[C@H]1CC[C@@H](C(=O)N2CCCC2C#N)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
OPRM1 P35372 1/20 0.68
OPRD1 P41143 1/20 0.68
DPP8 Q6V1X1 1/20 0.58
DPP9 Q86TI2 1/20 0.58

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
SCHEMBL8307962 1.00 DPP4 (1.00) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL5372711 1.00 DPP4 (1.00) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL5372707 1.00 DPP4 (1.00) DPP4OPRM1OPRD1DPP8DPP9
SCHEMBL5376592 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376148 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376155 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376590 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5371979 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5371984 0.82 DPP4 (1.00) DPP4OPRM1OPRD1
SCHEMBL5376412 0.81 DPP4 (1.00) DPP4OPRM1OPRD1

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
JP-4712387-B2 2011-06-29 JP claimed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP claimed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO claimed
EP-1560811-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) Abbott Laboratories (US) 2005-08-10 EP disclosed
WO-2004026822-A2 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LABORATORIES (US) 2004-04-01 WO disclosed