SCHEMBL21990981

SCHEMBL21990981

CNCC(=O)NC(CCCNC(=N)NC)C(=O)NCC(N)=O

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
NPY4R P50391 9/20 0.33
NPY5R Q15761 8/20 0.33
NPY1R P25929 7/20 0.33
NPY2R P49146 5/20 0.33
NMT2 O60551 1/20 0.32
NMT1 P30419 1/20 0.32
TLR2 O60603 1/20 0.31
QRFPR Q96P65 1/20 0.31
GLO1 Q04760 1/20 0.31
NOD1 Q9Y239 1/20 0.30
C3AR1 Q16581 1/20 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
SCHEMBL15840384 0.81 SIRT6 (0.41) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL22297882 0.80 SIRT6 (0.46) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL22618583 0.80 NPY4R (0.40) SIRT6SIRT1NPY4RNPY5RNPY1R
SCHEMBL15840417 0.79 SIRT6 (0.48) SIRT6SIRT1TLR2NOD1
SCHEMBL17323294 0.78 CTSS (0.37) SIRT6SIRT1TLR2GLO1
SCHEMBL15840416 0.78 BMP1 (0.43) NMT2NMT1GLO1NOD1
SCHEMBL15840410 0.78 GLO1 (0.35) SIRT6SIRT1NMT2NMT1TLR2
SCHEMBL15840383 0.77 PTGS1 (0.39) GLO1
SCHEMBL17323373 0.77 NMT2 (0.36) NMT2NMT1GLO1
SCHEMBL30874391 0.76 NPY4R (0.39) SIRT6SIRT1NPY4RNPY5RNPY1R

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-3650464-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND XDCExplorer (Shanghai) Co., Ltd. (CN) 2020-05-13 EP disclosed