SCHEMBL31323969

SCHEMBL31323969

NCC(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC15A2 Q16348 1/20 0.34
PTGS1 P23219 1/20 0.34
GSTK1 Q9Y2Q3 1/20 0.34
TERT O14746 1/20 0.33
QRFPR Q96P65 5/20 0.33
GRPR P30550 2/20 0.32
OPRD1 P41143 5/20 0.32
OPRM1 P35372 4/20 0.32
OPRK1 P41145 1/20 0.32
PSMB1 P20618 1/20 0.31
PSMB8 P28062 1/20 0.31
PSMB9 P28065 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB10 P40306 1/20 0.31
PSMB2 P49721 1/20 0.31
GLO1 Q04760 1/20 0.31

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
SCHEMBL30441904 0.97 SLC15A2 (0.37) SLC15A2PTGS1GSTK1TERTQRFPR
SCHEMBL259179 0.94 SLC15A2 (0.38) SLC15A2PTGS1GSTK1GLO1
SCHEMBL259178 0.94 SLC15A2 (0.38) SLC15A2PTGS1GSTK1GLO1
SCHEMBL30629006 0.93 SLC15A2 (0.39) SLC15A2TERTQRFPRGRPROPRD1
SCHEMBL29793468 0.92 PTGS1 (0.35) SLC15A2PTGS1GSTK1QRFPRGRPR
SCHEMBL29793301 0.91 KLKB1 (0.35) PTGS1GSTK1GRPRGLO1
SCHEMBL29793276 0.91 KLKB1 (0.35) PTGS1GSTK1GRPRGLO1
SCHEMBL29793344 0.90 PTGS1 (0.37) SLC15A2PTGS1GSTK1GRPRGLO1
SCHEMBL20397507 0.90 SLC15A2 (0.41) SLC15A2OPRD1OPRM1OPRK1PSMB1
SCHEMBL20397438 0.90 SLC15A2 (0.41) SLC15A2OPRD1OPRM1OPRK1PSMB1

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-2025005781-A1 ANTIMICROBIAL PEPTOID COMPRISING N-TERMINAL METAL COMPLEX 광주과학기술원 2025-01-02 WO disclosed