SCHEMBL26119474

SCHEMBL26119474

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.40
DPP7 Q9UHL4 7/20 0.40
DPP8 Q6V1X1 6/20 0.40
DPP9 Q86TI2 4/20 0.40
FAP Q12884 4/20 0.40
PREP P48147 2/20 0.38
PITRM1 Q5JRX3 1/20 0.38
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ELANE P08246 1/20 0.35
CMA1 P23946 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSF Q9UBX1 1/20 0.35
ARG1 P05089 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
SCHEMBL24425133 1.00 DPP4 (0.40) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL26117750 0.99 DPP4 (0.40) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL29609065 0.99 DPP4 (0.40) DPP4DPP7DPP8DPP9FAP
Trifluoroacetic Acid SCHEMBL27076720 0.92 DPP4 (0.37) DPP4DPP7DPP8DPP9FAP
SCHEMBL30457659 0.86 DPP4 (0.45) DPP4DPP7DPP8DPP9FAP
SCHEMBL30457628 0.86 DPP4 (0.45) DPP4DPP7DPP8DPP9FAP
SCHEMBL25075936 0.86 CTSV (0.31) CTSVCTSLCTSBELANECMA1
SCHEMBL24209768 0.86 DPP4 (0.39) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL25270614 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9FAP
Hydrochloric Acid SCHEMBL25232621 0.85 DPP4 (0.44) DPP4DPP7DPP8DPP9FAP

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
WO-2023180189-A1 MPRO TARGETING ANTIVIRAL COMPOUNDS EXSCIENTIA AI LIMITED (GB) 2023-09-28 WO disclosed