SCHEMBL12964930

SCHEMBL12964930

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 3/20 0.53
▸ DPP7 Q9UHL4 2/20 0.51
▸ DPP4 P27487 1/20 0.48
▸ DPP8 Q6V1X1 1/20 0.48
▸ DPP9 Q86TI2 1/20 0.48
▸ RRM1 P23921 1/20 0.48
▸ GNAI3 P08754 1/20 0.46
▸ GNAO1 P09471 1/20 0.46
▸ GNAI1 P63096 1/20 0.46
▸ SIRT6 Q8N6T7 1/20 0.45
▸ SIRT1 Q96EB6 1/20 0.45
▸ PLA2G2C Q5R387 1/20 0.43
▸ GLO1 Q04760 1/20 0.43
▸ GLP1R P43220 3/20 0.42

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
SCHEMBL12964824 1.00 NOD1 (0.53) NOD1DPP7DPP4DPP8DPP9
SCHEMBL18264750 0.92 DPP4 (0.50) NOD1DPP7DPP4DPP8DPP9
SCHEMBL4164602 0.87 DPP7 (0.67) NOD1DPP7DPP4DPP8DPP9
SCHEMBL10046565 0.87 DPP7 (0.67) NOD1DPP7DPP4DPP8DPP9
SCHEMBL11982810 0.86 NOD1 (0.54) NOD1DPP7DPP4DPP8DPP9
SCHEMBL31593390 0.86 DPP4 (0.44) NOD1DPP4DPP8DPP9
SCHEMBL31674332 0.84 NOD1 (0.52) NOD1DPP7DPP4DPP8DPP9
SCHEMBL18110511 0.84 NOD1 (0.64) NOD1GLP1R
SCHEMBL19685304 0.84 NOD1 (0.52) NOD1DPP7RRM1GNAI3GNAO1
SCHEMBL12964934 0.83 SIRT6 (0.54) SIRT6SIRT1PLA2G2CGLP1R

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-2012130866-A1 NOVEL GLUCAGON ANALOGUES NOVO NORDISK A/S (DK) 2012-10-04 — — WO disclosed
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