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SCHEMBL29695486

SCHEMBL29695486

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O)C(C)C

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 5/20 0.66
▸ GLP1R P43220 9/20 0.64
▸ CCKBR P32239 2/20 0.64
▸ NPY1R P25929 1/20 0.63
▸ NPY2R P49146 1/20 0.63
▸ NPY4R P50391 1/20 0.63
▸ NPY5R Q15761 1/20 0.63
▸ GIPR P48546 6/20 0.61
▸ CALCR P30988 3/20 0.60

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
SCHEMBL31000885 0.93 GLP1R (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31182631 0.91 CXCR4 (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30567706 0.90 GLP1R (0.70) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31656488 0.89 NPY1R (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL31148836 0.89 CALCR (0.70) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30567740 0.89 GLP1R (0.70) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30958882 0.88 CALCR (0.69) GLP1RCCKBRNPY1RNPY2RNPY4R
SCHEMBL30906500 0.88 NPY1R (0.66) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL30712940 0.88 GLP1R (0.68) CXCR4GLP1RCCKBRNPY1RNPY2R
SCHEMBL29949651 0.87 NPY1R (0.67) GLP1RNPY1RNPY2RNPY4RNPY5R

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
WO-2024020063-A2 ANTI-HRF ANTIBODIES LA JOLLA INSTITUTE FOR IMMUNOLOGY (US) 2024-01-25 — — WO disclosed
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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