SCHEMBL8991336

SCHEMBL8991336

CCC[C@@H]([C]=O)NC(=O)[C@@H](N)CCC(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP9 Q86TI2 8/20 0.53
DPP8 Q6V1X1 7/20 0.53
DPP4 P27487 6/20 0.53
GRM8 O00222 1/20 0.43
GRM6 O15303 1/20 0.43
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GSR P00390 1/20 0.43
CYP1A2 P05177 1/20 0.43
GRIK1 P39086 1/20 0.43
GRM5 P41594 1/20 0.43
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIA4 P48058 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 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
SCHEMBL9142314 0.90 DPP4 (0.54) DPP9DPP8DPP4GRM8GRM6
SCHEMBL9797628 0.89 DPP7 (0.50) DPP9DPP8DPP4GRIK1SLC1A3
SCHEMBL8991404 0.89 DPP7 (0.50) DPP9DPP8DPP4GRIK1SLC1A3
SCHEMBL2184463 0.86 CTSC (0.47) DPP9DPP8DPP4GRM8GRM6
SCHEMBL1600752 0.84 DPP4 (0.49) DPP9DPP8DPP4GRM8GRM6
SCHEMBL28492009 0.84 DPP4 (0.51) DPP9DPP8DPP4GRM8GRM6
SCHEMBL9273038 0.83 DPP4 (0.48) DPP9DPP8DPP4GRM8GRM6
SCHEMBL1534386 0.83 DPP4 (0.50) DPP9DPP8DPP4GRM8GRM6
SCHEMBL3240642 0.83 DPP4 (0.50) DPP9DPP8DPP4GRM8GRM6
SCHEMBL938992 0.82 DPP4 (0.47) DPP9DPP8DPP4GRM8GRM6

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-0722456-A1 ANTIFUNGAL COMPOSITIONS BTG INTERNATIONAL LIMITED (GB) 1996-07-24 EP disclosed
WO-1995009867-A1 ANTIFUNGAL COMPOSITIONS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1995-04-13 WO disclosed