SCHEMBL3240642

SCHEMBL3240642

NC(CCC(=O)O)C(=O)NC([C]=O)CS

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
DPP8 Q6V1X1 2/20 0.50
DPP9 Q86TI2 2/20 0.50
ENPEP Q07075 7/20 0.46
ANPEP P15144 4/20 0.46
GRM8 O00222 1/20 0.44
GRM6 O15303 1/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GSR P00390 1/20 0.44
CYP1A2 P05177 1/20 0.44
GRIK1 P39086 1/20 0.44
GRM5 P41594 1/20 0.44
GRIA1 P42261 1/20 0.44
GRIA2 P42262 1/20 0.44
GRIA3 P42263 1/20 0.44
SLC1A3 P43003 1/20 0.44
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 1/20 0.44
GRIA4 P48058 1/20 0.44

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
SCHEMBL1534386 1.00 DPP4 (0.50) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL9142314 0.88 DPP4 (0.54) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL11649721 0.87 DPP4 (0.50) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL11649726 0.87 DPP4 (0.50) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL2027145 0.87 ENPEP (0.46) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL28649232 0.87 DPP4 (0.46) DPP4DPP8DPP9BMP1FOLH1
SCHEMBL28492009 0.85 DPP4 (0.51) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL1600752 0.83 DPP4 (0.49) DPP4DPP8DPP9ENPEPANPEP
SCHEMBL8991336 0.83 DPP9 (0.53) DPP4DPP8DPP9GRM8GRM6
SCHEMBL9273038 0.81 DPP4 (0.48) DPP4DPP8DPP9ENPEPANPEP

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
WO-2010015590-A1 ORGANOTIN(IV) COMPLEXES WITH N-ACETYLCYSTEINE POSSESSING ANTITUMORAL ACTIVITY, PROCESS FOR THEIR PRODUCTION AND THEIR USE UNIVERSITA' DEGLI STUDI DI PALERMO (IT) 2010-02-11 WO disclosed