SCHEMBL29855872

SCHEMBL29855872

C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.55
OPRM1 P35372 3/20 0.54
OPRD1 P41143 2/20 0.54
OPRK1 P41145 2/20 0.54
F2 P00734 1/20 0.54

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
SCHEMBL30004706 0.89 F2 (0.58) SLC6A2OPRM1OPRD1OPRK1F2
SCHEMBL31439138 0.89 F2 (0.58) SLC6A2OPRM1OPRD1OPRK1F2
SCHEMBL30512504 0.88 OPRM1 (0.53) SLC6A2OPRM1OPRD1OPRK1F2
SCHEMBL29591691 0.87 SLC6A2 (0.58) SLC6A2OPRM1
SCHEMBL31377408 0.87 SLC6A2 (0.57) SLC6A2OPRM1OPRD1OPRK1F2
SCHEMBL30475337 0.86 SLC6A2 (0.51) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL30005604 0.86 F2 (0.59) OPRM1OPRD1OPRK1F2
SCHEMBL30475368 0.86 OPRD1 (0.55) OPRM1OPRD1OPRK1F2
SCHEMBL30240001 0.86 SLC6A2 (0.57) SLC6A2OPRM1OPRD1OPRK1
SCHEMBL30051281 0.85 POLB (0.57) SLC6A2OPRM1OPRD1OPRK1F2

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-2022136555-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 WO disclosed