SCHEMBL16358960

SCHEMBL16358960

CCCCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.45
▸ EPHX2 P34913 2/20 0.44
▸ NMT2 O60551 2/20 0.42
▸ NMT1 P30419 2/20 0.42
▸ NPY4R P50391 4/20 0.42
▸ NPY5R Q15761 4/20 0.42
▸ NPY1R P25929 3/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NOD1 Q9Y239 2/20 0.41
▸ GLP1R P43220 7/20 0.40

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
SCHEMBL16329426 0.97 TLR2 (0.43) TLR2EPHX2NMT2NMT1NPY4R
SCHEMBL10169928 0.93 OPRL1 (0.40) TLR2EPHX2NMT2NMT1NPY4R
SCHEMBL22930530 0.90 EPHX2 (0.52) TLR2EPHX2NMT2NMT1NPY4R
SCHEMBL4940275 0.90 EPHX2 (0.52) TLR2EPHX2NMT2NMT1NPY4R
SCHEMBL29536066 0.89 GNPAT (0.50) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL14193566 0.89 GNPAT (0.40) NMT2NMT1NPY4RNPY5RNPY1R
SCHEMBL15314079 0.88 NPY4R (0.37) TLR2EPHX2NMT2NMT1NPY4R
SCHEMBL17440322 0.88 QRFPR (0.42) TLR2NMT2NMT1NPY4RNPY5R
SCHEMBL13319653 0.88 QRFPR (0.42) TLR2NMT2NMT1NPY4RNPY5R
SCHEMBL5849482 0.87 OPRL1 (0.40) NPY4RNPY5RNPY1RNPY2R

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-2008134761-A2 MODIFICATION OF BIOLOGICAL TARGETING GROUPS FOR THE TREATMENT OF CANCER INTEZYNE TECHNOLOGIES, INC. (US) 2008-11-06 — — WO disclosed
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