SCHEMBL29565313

SCHEMBL29565313

CC(C)[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP3 Q9NY33 5/20 0.58
▸ OPRM1 P35372 2/20 0.48
▸ OPRD1 P41143 2/20 0.48
▸ CAPN1 P07384 2/20 0.47
▸ CTSB P07858 2/20 0.47
▸ NTSR2 O95665 1/20 0.46
▸ NTSR1 P30989 1/20 0.46
▸ SORT1 Q99523 1/20 0.46
▸ TACR1 P25103 1/20 0.46
▸ CCKBR P32239 2/20 0.46
▸ BRS3 P32247 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ BCHE P06276 1/20 0.46

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
SCHEMBL1369614 0.86 DPP3 (0.53) DPP3OPRM1CAPN1CTSBCCKBR
SCHEMBL30005150 0.86 DPP3 (0.53) DPP3OPRM1CAPN1CTSBCCKBR
SCHEMBL1369617 0.86 DPP3 (0.53) DPP3OPRM1CAPN1CTSBCCKBR
SCHEMBL29566010 0.86 OPRM1 (0.52) OPRM1OPRD1
SCHEMBL30239991 0.85 DPP3 (0.57) DPP3OPRD1CAPN1CTSBNTSR2
SCHEMBL29993422 0.84 DPP3 (0.74) DPP3CAPN1CTSBNTSR2NTSR1
SCHEMBL29567394 0.83 OPRD1 (0.50) OPRM1OPRD1
SCHEMBL29874708 0.83 OPRD1 (0.50) OPRM1OPRD1
SCHEMBL29498112 0.82 DPP4 (0.65) DPP3BCHE
SCHEMBL29565052 0.81 OPRM1 (0.54) OPRM1OPRD1

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-3981419-A1 BIOULTRABOND - A NOVEL SEALANT, GLUE OR FILLER FOR BIOLOGICAL TISSUES Albert-Ludwigs-Universität Freiburg (DE) 2022-04-13 — — EP disclosed
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