SCHEMBL30775496

SCHEMBL30775496

N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.54
DPP4 P27487 2/20 0.51
XIAP P98170 1/20 0.45
REN P00797 1/20 0.44
ACE P12821 1/20 0.44
OPRD1 P41143 2/20 0.41
CAPN1 P07384 2/20 0.41
OPRK1 P41145 1/20 0.41
CTSB P07858 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
SCHEMBL29351176 0.95 OPRM1 (0.51) OPRM1DPP4XIAPOPRD1CAPN1
SCHEMBL30389271 0.92 OPRM1 (0.49) OPRM1DPP4XIAPOPRD1CAPN1
SCHEMBL31383711 0.91 OPRM1 (0.50) OPRM1XIAPOPRD1CAPN1OPRK1
SCHEMBL31198203 0.90 OPRM1 (0.56) OPRM1DPP4XIAPRENACE
SCHEMBL29377214 0.89 DPP4 (0.50) OPRM1DPP4XIAPRENACE
SCHEMBL29573728 0.88 DPP4 (0.51) OPRM1DPP4XIAPCAPN1CTSB
SCHEMBL29575785 0.88 DPP4 (0.53) OPRM1DPP4XIAPRENACE
SCHEMBL29350886 0.88 DPP4 (0.49) OPRM1DPP4XIAPRENACE
SCHEMBL30832896 0.88 OPRM1 (0.47) OPRM1XIAPRENACEOPRD1
SCHEMBL29776753 0.88 OPRM1 (0.48) OPRM1XIAPRENACEOPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3442594-B1 BLOCK COPOLYMER FOR OVERCOMING DRUG RESISTANCE OF TUMOURS TO CHEMOTHERAPY, ITS POLYMER-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION CONTAINING THEM, METHOD OF PREPARATION AND USE THEREOF USTAV MAKROMOLEKULARNI CHEMIE AV CR V V I (CZ) 2024-02-07 EP claimed
EP-3442594-B1 BLOCK COPOLYMER FOR OVERCOMING DRUG RESISTANCE OF TUMOURS TO CHEMOTHERAPY, ITS POLYMER-DRUG CONJUGATE, PHARMACEUTICAL COMPOSITION CONTAINING THEM, METHOD OF PREPARATION AND USE THEREOF USTAV MAKROMOLEKULARNI CHEMIE AV CR V V I (CZ) 2024-02-07 EP disclosed