SCHEMBL7428900

SCHEMBL7428900

N[C@@H](CCCCNOCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A1 P43005 4/20 0.48
SLC1A3 P43003 3/20 0.48
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 3/20 0.47
LTA4H P09960 4/20 0.47
ALPI P09923 1/20 0.46
PKM P14618 1/20 0.46
PTGS1 P23219 1/20 0.46
XIAP P98170 1/20 0.46
SLC7A5 Q01650 1/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ANPEP P15144 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
DPP9 Q86TI2 2/20 0.44
DPP4 P27487 1/20 0.44
GRIK1 P39086 1/20 0.43
SLC1A2 P43004 2/20 0.43

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
SCHEMBL7219251 0.82 DPP8 (0.43) SLC1A1SLC1A3DPP8DPP7LTA4H
SCHEMBL5283021 0.81 DPP8 (0.49) SLC1A1SLC1A3DPP8DPP7LTA4H
SCHEMBL5283033 0.81 DPP8 (0.49) SLC1A1SLC1A3DPP8DPP7LTA4H
SCHEMBL453671 0.81 DPP8 (0.69) SLC1A1SLC1A3DPP8DPP7ANPEP
SCHEMBL5816135 0.81 DPP8 (0.69) SLC1A1SLC1A3DPP8DPP7ANPEP
SCHEMBL464672 0.81 DPP8 (0.69) SLC1A1SLC1A3DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL7297967 0.80 DPP8 (0.68) SLC1A1SLC1A3DPP8DPP7ANPEP
SCHEMBL7025382 0.80 DPP8 (0.68) SLC1A1SLC1A3DPP8DPP7ANPEP
Hydrochloric Acid SCHEMBL18770783 0.80 DPP8 (0.68) SLC1A1SLC1A3DPP8DPP7ANPEP
SCHEMBL21219282 0.80 DPP8 (0.68) SLC1A1SLC1A3DPP8DPP7ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396709-A4 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME 1991-05-22 EP claimed
EP-0396709-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-14 EP claimed
CN-117881779-A Microorganism and use thereof 英国研究与创新署 2024-04-12 CN disclosed
WO-1997032844-A9 HYDROXYAMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS 1997-12-24 WO disclosed
EP-0396709-A4 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME 1991-05-22 EP disclosed
EP-0396709-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-14 EP disclosed
EP-0367514-A2 Human leukocyte elastase inhibitors and methods for producing and using same UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-09 EP disclosed
WO-1990004409-A1 HUMAN LEUKOCYTE ELASTASE INHIBITORS AND METHODS OF PRODUCING AND USING SAME UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-05-03 WO disclosed