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SCHEMBL30262102

SCHEMBL30262102

CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 9/20 0.64
▸ NPY1R P25929 1/20 0.60
▸ NPY2R P49146 1/20 0.60
▸ NPY4R P50391 1/20 0.60
▸ NPY5R Q15761 1/20 0.60
▸ IL23R Q5VWK5 1/20 0.58
▸ GLP1R P43220 8/20 0.57
▸ GIPR P48546 6/20 0.57
▸ CCKBR P32239 2/20 0.56

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
SCHEMBL29949651 0.89 NPY1R (0.67) NPY1RNPY2RNPY4RNPY5RGLP1R
SCHEMBL31182631 0.89 CXCR4 (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30435876 0.88 NPY1R (0.66) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262181 0.88 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31020887 0.88 CXCR4 (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30436604 0.88 CXCR4 (0.63) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182980 0.88 NPY1R (0.65) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182901 0.88 CXCR4 (0.62) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL30262206 0.87 IL23R (0.59) CXCR4IL23RGLP1R
SCHEMBL29903382 0.87 CXCR4 (0.60) CXCR4NPY1RNPY2RNPY4RNPY5R

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230040544-A1 COMPOSITIONS AND METHODS FOR RESTORING AND MAINTAINING THE DYSTROPHIN-ASSOCIATED PROTEIN COMPLEX (DAPC) SAREPTA THERAPEUTICS, INC. 2023-02-09 — — US disclosed
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