SCHEMBL29695430

SCHEMBL29695430

N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.58
▸ POLB P06746 1/20 0.55
▸ F2 P00734 1/20 0.54
▸ OPRD1 P41143 2/20 0.53
▸ OPRK1 P41145 1/20 0.53
▸ BDKRB2 P30411 1/20 0.51
▸ SLC6A2 P23975 1/20 0.50

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
SCHEMBL29349609 0.88 POLB (0.68) OPRM1POLBF2OPRD1OPRK1
SCHEMBL29664244 0.86 OPRM1 (0.57) OPRM1POLBF2OPRD1OPRK1
SCHEMBL30745226 0.86 F2 (0.55) OPRM1F2OPRD1OPRK1BDKRB2
SCHEMBL30310102 0.86 SLC6A2 (0.65) OPRM1OPRD1OPRK1SLC6A2
SCHEMBL30574233 0.85 OPRM1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL29580824 0.84 POLB (0.56) OPRM1POLBF2OPRD1OPRK1
SCHEMBL29531518 0.84 SLC6A2 (0.55) OPRM1F2OPRD1OPRK1SLC6A2
SCHEMBL14903336 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL14903451 0.84 OPRM1 (0.57) OPRM1OPRD1OPRK1
SCHEMBL30957021 0.84 DPP3 (0.59) —

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-4267193-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF Ludwig-Maximilians-Universität München (DE) 2023-11-01 — — EP disclosed
WO-2022136555-A1 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-06-30 — — WO disclosed
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