SCHEMBL9522029

SCHEMBL9522029

CCCC[C@H](N)C(=O)OC(=O)[C@@H](N)CC(N)=O

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.42
SLC15A1 P46059 1/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
SLC1A2 P43004 2/20 0.40
SLC1A1 P43005 2/20 0.40
SLC1A3 P43003 1/20 0.40
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 5/20 0.39
DPP9 Q86TI2 5/20 0.39
METAP1 P53582 1/20 0.38
DDAH1 O94760 3/20 0.37
NOS1 P29475 2/20 0.37
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 2/20 0.35
NOD1 Q9Y239 1/20 0.35

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
SCHEMBL21114423 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A2
SCHEMBL5497695 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A2
SCHEMBL6445484 0.89 DPP7 (0.50) DPP7SLC15A1CA1CA2SLC1A2
SCHEMBL7326554 0.86 KMT2A (0.47) DPP7SLC15A1CA1CA2SLC1A2
SCHEMBL11061010 0.82 ALOX15 (0.36) DPP9GRIK1GRIK2
SCHEMBL995487 0.82 ALOX15 (0.36) DPP9GRIK1GRIK2
SCHEMBL27906557 0.82 ALOX15 (0.36) DPP9GRIK1GRIK2
SCHEMBL379284 0.82 SLC15A1 (0.46) DPP7SLC15A1CA1CA2SLC1A2
SCHEMBL1389422 0.82 GSR (0.50) DPP7DPP4DPP8DPP9
SCHEMBL52379 0.81 DPP7 (0.51) DPP7SLC15A1CA1CA2SLC1A2

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-0546108-A4 PRO-DRUGS FOR CCK ANTAGONISTS 1993-09-22 EP disclosed
EP-0546108-A1 PRO-DRUGS FOR CCK ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1993-06-16 EP disclosed