SCHEMBL15840455

SCHEMBL15840455

CNCC(=O)N[C@@H](CO)C(=O)NCC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 4/20 0.36
NMT2 O60551 3/20 0.36
TGFBR1 P36897 1/20 0.33
PTGS1 P23219 1/20 0.33
GSTK1 Q9Y2Q3 1/20 0.33
TLR2 O60603 3/20 0.32
GLO1 Q04760 1/20 0.32
OPRM1 P35372 2/20 0.31
OPRD1 P41143 2/20 0.31
MME P08473 1/20 0.31
METAP1 P53582 1/20 0.31
HRH1 P35367 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
SCHEMBL16310683 0.85 NMT2 (0.36) NMT1NMT2TGFBR1PTGS1GSTK1
SCHEMBL15840425 0.84 MMP2 (0.39)
SCHEMBL17323294 0.84 CTSS (0.37) PTGS1GSTK1TLR2GLO1
SCHEMBL15840410 0.84 GLO1 (0.35) NMT1NMT2PTGS1GSTK1TLR2
SCHEMBL15840416 0.84 BMP1 (0.43) NMT1NMT2PTGS1GSTK1GLO1
SCHEMBL15840383 0.83 PTGS1 (0.39) PTGS1GSTK1GLO1
SCHEMBL17323373 0.83 NMT2 (0.36) NMT1NMT2PTGS1GSTK1GLO1
SCHEMBL15840384 0.81 SIRT6 (0.41) NMT1NMT2TLR2OPRM1OPRD1
SCHEMBL18568832 0.81 NMT1 (0.41) NMT1NMT2TLR2OPRM1OPRD1
SCHEMBL15840414 0.81 GLO1 (0.44) PTGS1GSTK1GLO1

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-2014095773-A1 PEPTIDES AS OXYTOCIN AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-26 WO disclosed