SCHEMBL27076715

SCHEMBL27076715

CC(C)[C@H](N)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)OC(=O)C(F)(F)F)C2(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.34
DPP8 Q6V1X1 2/20 0.34
DPP9 Q86TI2 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
FAP Q12884 1/20 0.34
CTSV O60911 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 2/20 0.34
CYP3A4 P08684 1/20 0.34
ELANE P08246 2/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
CMA1 P23946 1/20 0.33
CTSF Q9UBX1 1/20 0.33

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
SCHEMBL25271187 0.88 DPP4 (0.36) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL29894802 0.85 DPP4 (0.35) DPP4DPP8DPP7CTSVCTSS
Trifluoroacetic Acid SCHEMBL27076720 0.83 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
SCHEMBL24209768 0.82 DPP4 (0.39) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL29609105 0.81 DPP4 (0.38) DPP4DPP8DPP9DPP7FAP
SCHEMBL24425133 0.79 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
SCHEMBL26119474 0.79 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL29609065 0.78 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
Hydrochloric Acid SCHEMBL26117750 0.78 DPP4 (0.40) DPP4DPP8DPP9DPP7FAP
Trifluoroacetic Acid SCHEMBL30489482 0.73 CTSV (0.37) DPP4DPP8DPP9CTSVCTSS

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-4313305-A1 SARS-COV-2 MPRO INHIBITOR COMPOUNDS Heptares Therapeutics Limited (GB) 2024-02-07 EP disclosed