SCHEMBL5891973

SCHEMBL5891973

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 2/20 0.47
DPP9 Q86TI2 2/20 0.47
DPP4 P27487 1/20 0.47
FOLH1 Q04609 1/20 0.47
NMT2 O60551 1/20 0.41
NMT1 P30419 1/20 0.41
DPP7 Q9UHL4 1/20 0.40
CPB2 Q96IY4 2/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
GSR P00390 1/20 0.36
SIRT6 Q8N6T7 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT5 Q9NXA8 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BLM P54132 1/20 0.36

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
SCHEMBL10182040 0.91 DPP8 (0.47) DPP8DPP9DPP4NMT2NMT1
SCHEMBL2196149 0.90 DPP4 (0.54) DPP8DPP9DPP4FOLH1CYP2D6
SCHEMBL1649812 0.86 FOLH1 (0.48) DPP8DPP9DPP4FOLH1NMT2
SCHEMBL10943106 0.85 DPP4 (0.61) DPP8DPP9DPP4FOLH1CYP2D6
SCHEMBL27262388 0.85 DPP4 (0.61) DPP8DPP9DPP4FOLH1CYP2D6
SCHEMBL31735179 0.85 FOLH1 (0.52) DPP8DPP9DPP4FOLH1NMT2
SCHEMBL18950261 0.84 FOLH1 (0.51) DPP8DPP9DPP4FOLH1NMT2
SCHEMBL9818089 0.84 NMT2 (0.43) DPP8DPP9FOLH1NMT2NMT1
SCHEMBL30394354 0.84 FOLH1 (0.66) DPP8DPP9DPP4FOLH1CPB2
SCHEMBL9117592 0.84 DPP8 (0.52) DPP8DPP9DPP4DPP7GNAI3

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-7125698-B2 Polynucleotides, materials incorporating them, and methods for using them VIALACTIA BIOSCIENCE (NZ) LIMITED (NZ) 2006-10-24 US disclosed