SCHEMBL7873419

SCHEMBL7873419

N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 1.00
DPP8 Q6V1X1 3/20 0.57
DPP7 Q9UHL4 3/20 0.57
DPP4 P27487 2/20 0.53
DPP9 Q86TI2 2/20 0.53
SLC1A3 P43003 1/20 0.50
SLC1A1 P43005 1/20 0.50
HTT P42858 1/20 0.49
FOLH1 Q04609 2/20 0.48
LTA4H P09960 1/20 0.47
TGM2 P21980 1/20 0.47

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
Hydrochloric Acid SCHEMBL7382206 0.99 ANPEP (0.98) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7873431 0.87 ANPEP (0.77) ANPEPDPP8DPP7HTT
SCHEMBL31060496 0.85 ANPEP (0.73) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7321298 0.83 ANPEP (0.71) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL17646248 0.83 ANPEP (0.71) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL19680371 0.83 ANPEP (0.71) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7382201 0.83 ANPEP (0.71) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL28344217 0.82 ANPEP (0.70) ANPEPDPP8DPP7DPP4DPP9
Hydrochloric Acid SCHEMBL17646311 0.82 ANPEP (0.70) ANPEPDPP8DPP7DPP4DPP9
SCHEMBL7318869 0.81 ANPEP (0.68) ANPEPDPP8DPP7DPP4DPP9

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
US-6329400-B1 INHIBITION OR ANTAGONISM OF MATRIX METALLOPROTEASES, AND/OR TUMOR NECROSIS FACTOR-ALPHA; EXTRACELLULAR MATRIX DEGRADATION, INHIBITION OF SHEDDING OF CELL SURFACE PROTEIN ECTODOMAINS AND CD23 PROTEOLYSIS GLAXO WELLCOME INC. 2001-12-11 US disclosed