SCHEMBL29616849

SCHEMBL29616849

CC[C@H](C)[C@H](N)C(=O)NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.42
DPP8 Q6V1X1 8/20 0.42
DPP9 Q86TI2 7/20 0.42
TERT O14746 1/20 0.38
DPP7 Q9UHL4 7/20 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
SCHEMBL3665730 0.82 DPP4 (0.41) DPP4DPP8DPP9TERTDPP7
SCHEMBL7284685 0.82 DPP4 (0.41) DPP4DPP8DPP9TERTDPP7
Carbamic Acid SCHEMBL29381512 0.80 DPP4 (0.40) DPP4DPP8DPP9TERTDPP7
SCHEMBL5491763 0.79 MME (0.38) DPP4DPP8DPP9TERTDPP7
SCHEMBL9650376 0.78 DPP4 (0.44) DPP4DPP8DPP9TERTDPP7
SCHEMBL9650387 0.78 DPP4 (0.44) DPP4DPP8DPP9TERTDPP7
SCHEMBL13887116 0.78 DPP4 (0.44) DPP4DPP8DPP9TERTDPP7
SCHEMBL200229 0.78 DPP4 (0.44) DPP4DPP8DPP9TERTDPP7
SCHEMBL19932399 0.78 MME (0.37) DPP4DPP8DPP9
SCHEMBL8122592 0.78 DPP4 (0.44) DPP4DPP8DPP9TERTDPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO claimed
WO-2022106611-A1 NOVEL COMPOSITIONS OF BETA-LACTAM COMPOUNDS XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed
WO-2022106630-A1 STABLE FORMULATIONS COMPRISING PIPERACILLIN AND/OR TAZOBACTAM XELLIA PHARMACEUTICALS APS (DK) 2022-05-27 WO disclosed