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Sugi Predict / Compounds / SCHEMBL29695617

SCHEMBL29695617

SCHEMBL29695617

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H](N)CO)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CC(N)=O)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 5/20 0.63
▸ OPRD1 P41143 5/20 0.63
▸ OPRK1 P41145 2/20 0.59
▸ KISS1R Q969F8 3/20 0.52

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
SCHEMBL29414486 0.88 OPRM1 (0.55) OPRM1OPRD1OPRK1KISS1R
SCHEMBL29436306 0.86 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL29674783 0.86 OPRM1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL30436893 0.85 BACE1 (0.57) OPRM1OPRD1
SCHEMBL31688319 0.85 OPRM1 (0.56) OPRM1OPRD1OPRK1
SCHEMBL30518887 0.84 BACE1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL30437795 0.83 OPRM1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL29876535 0.83 OPRM1 (0.56) OPRM1OPRD1OPRK1KISS1R
SCHEMBL30974534 0.83 OPRM1 (0.54) OPRM1OPRD1OPRK1KISS1R
SCHEMBL29375740 0.82 BACE1 (0.56) 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 3 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-A9 IMPROVED CD30 TARGETING ANTIBODY DRUG CONJUGATES AND USES THEREOF LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN (DE) 2022-09-22 — — WO 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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