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Sugi Predict / Compounds / SCHEMBL30262225

SCHEMBL30262225

SCHEMBL30262225

CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.64
▸ NTSR1 P30989 2/20 0.59
▸ NPY2R P49146 7/20 0.59
▸ NPY4R P50391 7/20 0.59
▸ NPY5R Q15761 7/20 0.59
▸ NPY1R P25929 5/20 0.59
▸ OPRD1 P41143 3/20 0.58

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
SCHEMBL29416126 0.90 CALCR (0.63) CALCRNTSR1OPRD1
SCHEMBL29695551 0.90 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30304511 0.89 CALCR (0.69) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495668 0.89 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30304242 0.89 OPRD1 (0.60) CALCRNTSR1OPRD1
SCHEMBL30433441 0.88 CALCR (0.65) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30567772 0.88 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182882 0.88 CALCR (0.62) CALCROPRD1
SCHEMBL31182685 0.87 NPY2R (0.67) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL31182527 0.87 CALCR (0.74) CALCRNPY2RNPY4RNPY5RNPY1R

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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