SCHEMBL25815858

SCHEMBL25815858

NC(CCCCNC(=O)OCCc1ccc2cc3ccccc3cc2c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.46
DPP8 Q6V1X1 3/20 0.45
DPP7 Q9UHL4 3/20 0.45
ANPEP P15144 1/20 0.44
SLC1A3 P43003 2/20 0.43
SLC1A1 P43005 2/20 0.43
DPP4 P27487 2/20 0.43
DPP9 Q86TI2 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
CES2 O00748 1/20 0.42
FOLH1 Q04609 2/20 0.40
SLC7A5 Q01650 1/20 0.40
LTA4H P09960 1/20 0.39
SLC1A2 P43004 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC7A11 Q9UPY5 1/20 0.39

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
SCHEMBL22184125 1.00 TGM2 (0.46) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL7297604 0.86 CHRNB2 (0.55) DPP8DPP7ANPEPSLC1A3SLC1A1
SCHEMBL5324794 0.78 CYP1A2 (0.59) SLC1A3SLC1A1SLC1A2CYP1A2SLC7A11
SCHEMBL5816135 0.77 DPP8 (0.69) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL464672 0.77 DPP8 (0.69) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL453671 0.77 DPP8 (0.69) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL5325659 0.76 CYP1A2 (0.60) SLC1A3SLC1A1SLC1A2CYP1A2SLC7A11
Hydrochloric Acid SCHEMBL18770783 0.76 DPP8 (0.68) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL7028548 0.76 DPP8 (0.68) TGM2DPP8DPP7ANPEPSLC1A3
SCHEMBL21219282 0.76 DPP8 (0.68) TGM2DPP8DPP7ANPEPSLC1A3

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
EP-4223319-A2 METHOD AND MOLECULES MedImmune, LLC (US) 2023-08-09 EP disclosed
EP-3630732-B1 METHOD AND MOLECULES MEDIMMUNE LLC (US) 2023-07-12 EP disclosed