SCHEMBL5220876

SCHEMBL5220876

C#C[C@H]1CC[C@@H](C#N)N1C(=O)CNC(C)(C)CNc1ccc(C(=O)OCC)cn1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.51
DPP9 Q86TI2 3/20 0.44
DPP8 Q6V1X1 2/20 0.38
FAP Q12884 1/20 0.38
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36

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
SCHEMBL648356 0.92 DPP4 (0.53) DPP4DPP9DPP8FAP
SCHEMBL5630223 0.92 DPP4 (0.53) DPP4DPP9DPP8FAP
SCHEMBL645715 0.84 DPP4 (0.70) DPP4DPP9DPP8
SCHEMBL7046994 0.78 DPP4 (0.54) DPP4DPP9
SCHEMBL649101 0.77 DPP4 (0.56) DPP4DPP9
SCHEMBL646071 0.77 DPP4 (0.56) DPP4DPP9
SCHEMBL646067 0.77 DPP4 (0.60) DPP4
SCHEMBL645954 0.73 DPP4 (0.78) DPP4DPP9DPP8
SCHEMBL5480196 0.73 DPP4 (0.55) DPP4DPP9DPP8
SCHEMBL645785 0.73 DPP4 (0.55) DPP4DPP9DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560811-B1 PHARMACEUTICAL COMPOSITIONS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) ABBOTT LAB (US) 2007-08-01 EP claimed