SCHEMBL29875665

SCHEMBL29875665

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.50
▸ DPP9 Q86TI2 3/20 0.50
▸ DPP8 Q6V1X1 2/20 0.50
▸ GRM8 O00222 1/20 0.44
▸ GRM6 O15303 1/20 0.44
▸ GRIN2D O15399 1/20 0.44
▸ GRIN3B O60391 1/20 0.44
▸ GSR P00390 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ GRIK1 P39086 1/20 0.44
▸ GRM5 P41594 1/20 0.44
▸ GRIA1 P42261 1/20 0.44
▸ GRIA2 P42262 1/20 0.44
▸ GRIA3 P42263 1/20 0.44
▸ SLC1A3 P43003 1/20 0.44
▸ SLC1A2 P43004 1/20 0.44
▸ SLC1A1 P43005 1/20 0.44
▸ GRIA4 P48058 1/20 0.44
▸ GRIN1 Q05586 1/20 0.44
▸ GRIN2A Q12879 1/20 0.44

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
SCHEMBL29482773 0.85 DPP4 (0.54) DPP4DPP9DPP8GRM8GRM6
SCHEMBL29750499 0.81 DPP4 (0.67) DPP4DPP9DPP8GRM8GRM6
SCHEMBL16297654 0.78 DPP4 (0.58) DPP4DPP9DPP8GRM8GRM6
SCHEMBL8382463 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL2710756 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL7923681 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL27956852 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL435318 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL435319 0.77 FOLH1 (0.62) DPP4DPP9DPP8GRM8GRM6
SCHEMBL25551968 0.76 BMP1 (0.59) DPP4DPP9DPP8GRM8GRM6

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-2022193898-A1 POLYPEPTIDE COUPLED BORON CARRYING AGENT, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL FORMULATION 北京大学 2022-09-22 — — WO disclosed
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