SCHEMBL30128358

SCHEMBL30128358

C[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 4/20 0.48
▸ NTSR2 O95665 2/20 0.47
▸ NTSR1 P30989 2/20 0.47
▸ OPRM1 P35372 5/20 0.46
▸ OPRD1 P41143 4/20 0.46
▸ F2 P00734 1/20 0.43
▸ APLNR P35414 1/20 0.42
▸ CXCR4 P61073 1/20 0.42

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
SCHEMBL31000886 0.88 NTSR1 (0.55) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL30128446 0.87 CXCR4 (0.50) CXCR4
SCHEMBL29611859 0.86 NTSR1 (0.55) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL1690986 0.85 NTSR1 (0.54) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL1690987 0.85 NTSR1 (0.54) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL31232959 0.85 NTSR2 (0.48) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL416858 0.83 NTSR2 (0.49) NTSR2NTSR1OPRM1OPRD1F2
SCHEMBL416859 0.83 NTSR2 (0.49) NTSR2NTSR1OPRM1OPRD1F2
SCHEMBL29695547 0.82 OPRM1 (0.49) BDKRB2NTSR2NTSR1OPRM1OPRD1
SCHEMBL29752529 0.82 NTSR2 (0.51) NTSR2NTSR1OPRM1OPRD1F2

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
US-12023389-B2 Compositions that target tumor-associated macrophages and methods of use therefor Sanford Burnham Prebys Medical Discovery Institute (US) 2024-07-02 — — US claimed
US-20240131201-A1 COMPOSITIONS THAT TARGET TUMOR-ASSOCIATED MACROPHAGES AND METHODS OF USE THEREFOR Sanford Burnham Prebys Medical Discovery Institute 2024-04-25 — — US claimed
US-11571484-B2 Compositions that target tumor-associated macrophages and methods of use therefor Sanford Burnham Prebys Medical Discovery Institute (US) 2023-02-07 — — US claimed
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