SCHEMBL29533865

SCHEMBL29533865

CNC(=N)NCCC(N)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PMP22 Q01453 2/20 0.43
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
GSR P00390 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIN1 Q05586 1/20 0.41

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
SCHEMBL4393876 1.00 PMP22 (0.43) PMP22NOS3NOS1NOS2GSR
Tilarginine SCHEMBL6370536 0.89 OTC (0.51) PMP22NOS3NOS1NOS2GSR
Tilarginine SCHEMBL12028766 0.89 OTC (0.51) PMP22NOS3NOS1NOS2GSR
Tilarginine SCHEMBL315843 0.89 OTC (0.51) PMP22NOS3NOS1NOS2GSR
SCHEMBL1006081 0.88 GSR (0.47) NOS3NOS1NOS2GSRCYP1A2
Tilarginine SCHEMBL2229626 0.88 OTC (0.50) PMP22NOS3NOS1NOS2GSR
SCHEMBL14423587 0.88 GSR (0.47) NOS3NOS1NOS2GSRCYP1A2
Tilarginine SCHEMBL1321022 0.86 OTC (0.49) PMP22NOS3NOS1NOS2GSR
SCHEMBL1344672 0.84 SLC1A2 (0.42) PMP22NOS3NOS1NOS2GSR
Nor-Noha SCHEMBL4097591 0.83 GSR (0.42) PMP22NOS3NOS1NOS2GSR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348476-A Peptide-based linkers 拜斯科技术开发有限公司 2023-06-27 CN claimed
EP-4188938-A1 PEPTIDE-BASED LINKERS BicycleTX Limited (GB) 2023-06-07 EP claimed
WO-2022029420-A1 PEPTIDE-BASED LINKERS BICYCLETX LIMITED (GB) 2022-02-10 WO claimed
CN-116348476-A Peptide-based linkers 拜斯科技术开发有限公司 2023-06-27 CN disclosed