SCHEMBL29138549

SCHEMBL29138549

C=CC1CCCN1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.35
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
FAP Q12884 6/20 0.33
PREP P48147 4/20 0.33
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
HTT P42858 1/20 0.33
SRC P12931 1/20 0.33
DPP7 Q9UHL4 7/20 0.32
BTK Q06187 1/20 0.30
PITRM1 Q5JRX3 1/20 0.30

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
SCHEMBL28812929 0.83 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL3355865 0.82 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL6809998 0.82 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL3604828 0.82 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL17364370 0.80 CHRM2 (0.39)
SCHEMBL21409476 0.76 DPP4 (0.35) DPP4POLBL3MBTL1DPP7
SCHEMBL23563034 0.76 DPP4 (0.36) DPP4POLBL3MBTL1FAPPREP
SCHEMBL22198077 0.73 DPP4 (0.34) DPP4POLBL3MBTL1BTK
SCHEMBL20221604 0.72 SMN1; SMN2 (0.46) DPP4POLBL3MBTL1FAPPREP
SCHEMBL3595877 0.72 HSD17B10 (0.48) L3MBTL1

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
CN-117069889-A Polymerization catalyst and preparation method and application thereof 丰益表面活性材料(连云港)有限公司 2023-11-17 CN disclosed