SCHEMBL10305352

SCHEMBL10305352

CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NTSR1 P30989 6/20 0.65
NTSR2 O95665 5/20 0.65
SORT1 Q99523 3/20 0.65
OPRD1 P41143 5/20 0.64
OPRM1 P35372 1/20 0.64
OPRK1 P41145 1/20 0.64
REN P00797 5/20 0.61

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
SCHEMBL14049707 0.92 OPRK1 (0.58) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL10305287 0.92 OPRD1 (0.63) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL1421754 0.92 NTSR1 (0.74) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL1421733 0.92 NTSR1 (0.74) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL10305342 0.91 NTSR1 (0.61) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL14757595 0.91 OPRD1 (0.66) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL10058596 0.89 NTSR1 (0.61) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL30880437 0.89 NTSR1 (0.82) NTSR1NTSR2SORT1
SCHEMBL12801534 0.88 NPY1R (0.63) NTSR1NTSR2SORT1OPRD1OPRM1
SCHEMBL30775521 0.88 NTSR1 (0.68) NTSR1NTSR2SORT1OPRD1OPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114796517-A Structure modification method for increasing transdermal efficacy of exosome 安博威生物科技(厦门)有限公司 2022-07-29 CN claimed
CN-114796517-A Structure modification method for increasing transdermal efficacy of exosome 安博威生物科技(厦门)有限公司 2022-07-29 CN disclosed
EP-2474553-A2 Compounds for diagnosing apoptosis GUERBET (FR) 2012-07-11 EP disclosed
WO-2008125420-A2 COMPOUNDS FOR DIAGNOSING APOPTOSIS GUERBET (FR) 2008-10-23 WO disclosed
WO-2007042504-A2 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET (FR) 2007-04-19 WO disclosed