SCHEMBL6204327

SCHEMBL6204327

CC1CCC(C#N)N1C(=O)CCl

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.60
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL648829 1.00 DPP4 (0.60) DPP4ALDH1A1
SCHEMBL6516504 0.87 DPP4 (0.54) DPP4
SCHEMBL1799002 0.81 ALDH1A1 (0.52) DPP4ALDH1A1
SCHEMBL11831626 0.81 ALDH1A1 (0.52) DPP4ALDH1A1
SCHEMBL6201514 0.80 DPP4 (0.62) DPP4
SCHEMBL647079 0.80 DPP4 (0.62) DPP4
SCHEMBL4983693 0.79 DPP4 (0.60) DPP4
SCHEMBL646823 0.79 DPP4 (0.60) DPP4
SCHEMBL4703476 0.79 DPP4 (0.60) DPP4
SCHEMBL4705887 0.79 DPP4 (0.60) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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