SCHEMBL11211245

SCHEMBL11211245

CCCCCCCCNC(=O)CC[C@H](N)C(N)=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.61
NAAA Q02083 1/20 0.57
DPP7 Q9UHL4 2/20 0.54
RRM1 P23921 1/20 0.54
NOD1 Q9Y239 3/20 0.52
GNAI3 P08754 1/20 0.51
GNAO1 P09471 1/20 0.51
GNAI1 P63096 1/20 0.51
FAAH O00519 3/20 0.50
SLC6A5 Q9Y345 2/20 0.49
DNM1 Q05193 1/20 0.47
EPHX1 P07099 2/20 0.47
EPHX2 P34913 2/20 0.47

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
SCHEMBL7349053 1.00 CASP2 (0.61) CASP2NAAADPP7RRM1NOD1
SCHEMBL14381165 0.93 NOD1 (0.50) CASP2NAAADPP7RRM1NOD1
SCHEMBL22646981 0.91 NOD1 (0.59) CASP2NAAADPP7RRM1NOD1
SCHEMBL6698108 0.87 NOD1 (0.66) CASP2NAAADPP7RRM1NOD1
SCHEMBL31251746 0.87 DPP7 (0.73) CASP2NAAADPP7RRM1NOD1
SCHEMBL24072850 0.87 DPP7 (0.73) CASP2NAAADPP7RRM1NOD1
SCHEMBL23895012 0.87 DPP7 (0.73) CASP2NAAADPP7RRM1NOD1
SCHEMBL31619646 0.87 DPP7 (0.73) CASP2NAAADPP7RRM1NOD1
SCHEMBL31619668 0.87 DPP7 (0.73) CASP2NAAADPP7RRM1NOD1
SCHEMBL27717842 0.87 NOD1 (0.66) CASP2NAAADPP7RRM1NOD1

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
EP-0021367-B1 MURAMYLDIPEPTIDE DERIVATIVES, PROCESS FOR PREPARING SAID COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAID COMPOUNDS DAIICHI SEIYAKU CO., LTD. (JP) 1983-04-06 EP disclosed