SCHEMBL30298866

SCHEMBL30298866

CC(C)C[C@H](NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NMT2 O60551 1/20 0.47
▸ NMT1 P30419 1/20 0.47
▸ NPY4R P50391 4/20 0.47
▸ NPY1R P25929 3/20 0.47
▸ NPY2R P49146 3/20 0.47
▸ MME P08473 4/20 0.47
▸ GSR P00390 1/20 0.44
▸ CPB2 Q96IY4 3/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.43
▸ ERAP2 Q6P179 1/20 0.43
▸ ERAP1 Q9NZ08 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ NPY5R Q15761 2/20 0.40
▸ NTSR2 O95665 1/20 0.40
▸ NTSR1 P30989 1/20 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
SCHEMBL29354569 0.99 MME (0.48) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL31573967 0.96 NMT2 (0.48) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL29630493 0.94 NMT1 (0.52) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL29740735 0.92 NPY1R (0.50) NPY4RNPY1RNPY2RGSRCPB2
SCHEMBL30397735 0.92 NPY1R (0.50) NPY4RNPY1RNPY2RGSRCPB2
SCHEMBL30478747 0.91 NMT2 (0.49) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL31343172 0.91 NPY4R (0.52) NPY4RNPY1RNPY2RGSRCPB2
SCHEMBL29404079 0.91 NPY4R (0.52) NPY4RNPY1RNPY2RGSRCPB2
SCHEMBL29630455 0.91 NPY4R (0.47) NMT2NMT1NPY4RNPY1RNPY2R
SCHEMBL24141455 0.91 GSR (0.53) NMT2NMT1GSRCPB2DPP8

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-4106792-A1 COMBINATION TREATMENT OF STROKE WITH PLASMIN-CLEAVABLE PSD-95 INHIBITOR AND REPERFUSION NoNO Inc. (CA) 2022-12-28 — — EP disclosed
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