SCHEMBL8356982

SCHEMBL8356982

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CO)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 1/20 0.41
NOD1 Q9Y239 3/20 0.40
NPY4R P50391 12/20 0.40
NPY1R P25929 7/20 0.40
NPY2R P49146 5/20 0.40
NPY5R Q15761 5/20 0.40
PRMT1 Q99873 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37

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
SCHEMBL8356976 1.00 QRFPR (0.41) QRFPRNOD1NPY4RNPY1RNPY2R
SCHEMBL29539524 0.97 NOD1 (0.42) QRFPRNOD1NPY4RNPY1RNPY2R
SCHEMBL30202223 0.94 NOD1 (0.44) QRFPRNOD1NPY4RNPY1RNPY2R
SCHEMBL29630463 0.91 NPY4R (0.39) QRFPRNOD1NPY4RNPY1RNPY2R
SCHEMBL31267165 0.91 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL34464591 0.90 QRFPR (0.42) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL32684785 0.90 NOD1 (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL29630329 0.90 NOD1 (0.49) NOD1NPY4RNPY1RNPY2RNPY5R
SCHEMBL30193290 0.89 QRFPR (0.45) QRFPRNPY4RNPY1RNPY2RNPY5R
SCHEMBL31522358 0.88 NPY4R (0.46) NOD1NPY4RNPY1RNPY2RNPY5R

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-1999040435-A1 PROTEIN FOLDING INHIBITORS NETZER WILLIAM J (US) 1999-08-12 WO disclosed