SCHEMBL10654935

SCHEMBL10654935

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.37
DPP8 Q6V1X1 4/20 0.37
DPP9 Q86TI2 4/20 0.37
SLC7A5 Q01650 2/20 0.32
NOS2 P35228 3/20 0.31
NOS3 P29474 2/20 0.31
NOS1 P29475 2/20 0.31
DPP7 Q9UHL4 2/20 0.31
BHMT Q93088 1/20 0.30
BHMT2 Q9H2M3 1/20 0.30
SLC15A1 P46059 1/20 0.30
GABRR1 P24046 2/20 0.30

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
SCHEMBL10653648 0.83 DPP4 (0.40) DPP4DPP8DPP9SLC7A5NOS2
SCHEMBL10654701 0.81 DPP4 (0.38) DPP4DPP8DPP9SLC7A5NOS2
SCHEMBL10943106 0.76 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL27262388 0.76 DPP4 (0.61) DPP4DPP8DPP9
SCHEMBL17100549 0.76 DPP7 (0.50) DPP4DPP8DPP9DPP7SLC15A1
SCHEMBL10658481 0.75 GLO1 (0.39) DPP4DPP8DPP9
SCHEMBL10703971 0.73 DPP7 (0.51) DPP4DPP8DPP9DPP7SLC15A1
SCHEMBL10655332 0.73 GSR (0.48) NOS2NOS3NOS1BHMTBHMT2
SCHEMBL10657081 0.73 GSR (0.48) NOS2NOS3NOS1BHMTBHMT2
SCHEMBL8525692 0.73 DPP4 (0.40) DPP4DPP8DPP9SLC7A5BHMT

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-4730006-A BACTERICIDES MERRELL DOW PHARMACEUTICALS INC. (US) 1988-03-08 US disclosed