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Sugi Predict / Compounds / SCHEMBL30123072

SCHEMBL30123072

SCHEMBL30123072

C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 8/20 0.44
▸ OPRM1 P35372 7/20 0.44
▸ OPRK1 P41145 2/20 0.41
▸ IL23R Q5VWK5 3/20 0.38
▸ MME P08473 3/20 0.37
▸ CALCR P30988 4/20 0.37
▸ APC P25054 1/20 0.37

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
SCHEMBL29894779 0.92 MME (0.46) OPRD1OPRM1MME
SCHEMBL30123343 0.86 OPRD1 (0.47) OPRD1OPRM1OPRK1
SCHEMBL29895454 0.85 ENPEP (0.43) OPRD1OPRM1MME
SCHEMBL29894761 0.84 OPRD1 (0.42) OPRD1OPRM1OPRK1MME
SCHEMBL29587542 0.84 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL30988398 0.84 ACE (0.33) OPRD1OPRM1OPRK1MME
SCHEMBL30116291 0.83 MME (0.38) MME
SCHEMBL21246653 0.81 OPRD1 (0.42) OPRD1OPRM1OPRK1
SCHEMBL416409 0.81 OPRM1 (0.39) OPRD1OPRM1OPRK1
SCHEMBL416410 0.81 OPRM1 (0.39) OPRD1OPRM1OPRK1

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-4370150-A1 OVERCOMING ANTIBODY-INTERFERENCE IN AVIANS Intervet International B.V. (NL) 2024-05-22 — — EP disclosed
WO-2023285489-A1 OVERCOMING ANTIBODY-INTERFERENCE IN AVIANS INTERVET INTERNATIONAL B.V. (NL) 2023-01-19 — — WO disclosed
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