SCHEMBL647956

SCHEMBL647956

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 1.00
DPP8 Q6V1X1 1/20 0.64
DPP9 Q86TI2 1/20 0.64

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
SCHEMBL646678 1.00 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL648012 0.93 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1382238 0.93 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL1377256 0.91 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL646373 0.91 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL6167534 0.81 DPP4 (0.83) DPP4DPP8DPP9
SCHEMBL648082 0.80 DPP4 (0.87) DPP4DPP8DPP9
SCHEMBL645954 0.80 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL6255154 0.78 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL12398848 0.77 DPP4 (0.63) 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
US-8637546-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DDP-IV) ABBVIE INC. (US) 2014-01-28 US claimed
US-8119664-B2 Pharmaceutical compositions as inhibitors of dipeptidyl peptidase-IV (DPP-IV) ABBOTT LABORATORIES (US) 2012-02-21 US claimed