SCHEMBL29357200

SCHEMBL29357200

C[C@H](NC(=O)CNC(=O)CCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 2/20 0.44
▸ NPY5R Q15761 5/20 0.43
▸ NPY1R P25929 4/20 0.43
▸ NPY4R P50391 4/20 0.43
▸ OPRL1 P41146 5/20 0.43
▸ NMT2 O60551 1/20 0.41
▸ NMT1 P30419 1/20 0.41
▸ TFPI P10646 1/20 0.41
▸ NPY2R P49146 2/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.39

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
SCHEMBL30492108 0.94 NPY4R (0.47) NPY5RNPY1RNPY4RNMT2NMT1
SCHEMBL29533919 0.93 NPY5R (0.42) NPBWR1NPY5RNPY1RNPY4ROPRL1
SCHEMBL30492110 0.93 NMT1 (0.43) NPBWR1NPY5RNPY1RNPY4RNMT2
SCHEMBL30492105 0.90 NPY4R (0.49) NPY5RNPY1RNPY4RNMT2NMT1
SCHEMBL30492101 0.89 NMT1 (0.45) NPBWR1NPY5RNPY1RNPY4RNMT2
SCHEMBL29533810 0.89 NPY4R (0.44) NPBWR1NPY5RNPY1RNPY4RNPY2R
SCHEMBL29354924 0.89 SLC15A2 (0.44) NPY5RNPY1RNPY4RNMT2NMT1
SCHEMBL30524341 0.87 NPY4R (0.48) NPY5RNPY1RNPY4RNMT2NMT1
SCHEMBL31232443 0.87 NPY5R (0.42) NPBWR1NPY5RNPY1RNPY4ROPRL1
SCHEMBL30514677 0.87 NPY4R (0.45) NPY5RNPY1RNPY4ROPRL1TFPI

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-3941526-A1 TRANSGLUTAMINASE CONJUGATION METHOD WITH A GLYCINE BASED LINKER Paul Scherrer Institut (CH) 2022-01-26 — — EP disclosed
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