Sugi Predict

Sugi Predict / Compounds / SCHEMBL30262205

SCHEMBL30262205

SCHEMBL30262205

CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.65
▸ CTSS P25774 3/20 0.65
▸ CTSK P43235 3/20 0.65
▸ CTSH P09668 1/20 0.65
▸ CXCR4 P61073 3/20 0.65
▸ NPY1R P25929 1/20 0.65
▸ NPY2R P49146 1/20 0.65
▸ NPY4R P50391 1/20 0.65
▸ NPY5R Q15761 1/20 0.65
▸ NMBR P28336 2/20 0.64
▸ GRPR P30550 2/20 0.64
▸ GLP1R P43220 6/20 0.61
▸ GCGR P47871 4/20 0.61
▸ C5AR1 P21730 1/20 0.61
▸ GIPR P48546 1/20 0.59
▸ RAMP3 O60896 1/20 0.58
▸ CALCR P30988 1/20 0.58
▸ F2 P00734 1/20 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
SCHEMBL30091430 0.91 CTSL (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30072008 0.90 F2 (0.64) NMBRGRPRGLP1RC5AR1F2
SCHEMBL29697166 0.90 CTSL (0.62) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30429341 0.89 GLP1R (0.68) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL31182493 0.88 GLP1R (0.67) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29638062 0.88 GLP1R (0.74) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL29697127 0.88 CTSL (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL23273229 0.88 NMBR (0.69) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30432159 0.88 C5AR1 (0.73) CXCR4NPY1RNPY2RNPY4RNPY5R
SCHEMBL15987247 0.87 CXCR4 (0.81) CXCR4GLP1RGCGRC5AR1

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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