SCHEMBL29594367

SCHEMBL29594367

CCCC[C@H](N)C(=O)N[C@@H](CCCNC(N)=O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 7/20 0.56
DPP7 Q9UHL4 8/20 0.55
DPP8 Q6V1X1 6/20 0.48
DPP9 Q86TI2 6/20 0.48
DPP4 P27487 3/20 0.48
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
RRM1 P23921 1/20 0.44
C3AR1 Q16581 1/20 0.44
SLC15A1 P46059 1/20 0.44
FOLH1 Q04609 1/20 0.42

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
SCHEMBL30942562 1.00 NOD1 (0.56) NOD1DPP7DPP8DPP9DPP4
SCHEMBL29354768 0.93 NOD1 (0.49) NOD1DPP7C3AR1FOLH1
SCHEMBL30767177 0.92 NOD1 (0.49) NOD1DPP7DPP8DPP9DPP4
SCHEMBL30767162 0.92 NOD1 (0.49) NOD1DPP7DPP8DPP9DPP4
SCHEMBL30193277 0.90 NOD1 (0.47) NOD1DPP7C3AR1
SCHEMBL29697100 0.89 NOD1 (0.54) NOD1DPP7DPP8DPP9DPP4
SCHEMBL29543302 0.89 NOD1 (0.54) NOD1DPP7DPP8DPP9DPP4
SCHEMBL30490561 0.89 NOD1 (0.54) NOD1DPP7DPP8DPP9DPP4
SCHEMBL30081109 0.88 NOD1 (0.51) NOD1DPP7GNAI3GNAO1GNAI1
SCHEMBL2850058 0.88 DPP7 (0.58) NOD1DPP7DPP8DPP9DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114395050-B Amatoxin-antibody conjugates 海德堡医药有限责任公司 2025-03-14 CN disclosed
CN-114395050-A Amatoxin-antibody conjugates 海德堡医药有限责任公司 2022-04-26 CN disclosed