SCHEMBL21548468

SCHEMBL21548468

NC(=O)C[C@H](N)C(=O)N1CC[C@@H](O)C1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 8/20 0.63
DPP4 P27487 8/20 0.55
DPP8 Q6V1X1 7/20 0.45
DPP9 Q86TI2 4/20 0.41
ARG1 P05089 1/20 0.40
PDK2 Q15119 2/20 0.38

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
SCHEMBL5789549 0.85 DPP7 (0.66) DPP7DPP4DPP8DPP9ARG1
SCHEMBL5789775 0.85 DPP7 (0.66) DPP7DPP4DPP8DPP9ARG1
SCHEMBL3066433 0.83 DPP4 (0.51) DPP7DPP4DPP8DPP9
SCHEMBL17152480 0.82 DPP4 (0.61) DPP7DPP4DPP8DPP9ARG1
SCHEMBL12352126 0.76 DPP7 (0.76) DPP7DPP4DPP8DPP9
SCHEMBL15247212 0.75 DPP9 (0.40) DPP7DPP4DPP8DPP9ARG1
SCHEMBL14655996 0.75 DPP4 (0.66) DPP7DPP4DPP8DPP9
SCHEMBL20210138 0.75 DPP9 (0.45) DPP7DPP4DPP8DPP9ARG1
SCHEMBL6052747 0.73 HDAC8 (0.59) DPP7DPP4DPP8DPP9
SCHEMBL4095232 0.73 HDAC8 (0.59) DPP7DPP4DPP8DPP9

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-3191113-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80 (B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 EP disclosed