SCHEMBL29973381

SCHEMBL29973381

CSCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 10/20 0.51
▸ BACE2 Q9Y5Z0 2/20 0.47
▸ CTSD P07339 2/20 0.47
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ TASP1 Q9H6P5 1/20 0.44
▸ PTH1R Q03431 1/20 0.43
▸ GLP1R P43220 1/20 0.43
▸ GCGR P47871 1/20 0.43
▸ GIPR P48546 1/20 0.43

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
SCHEMBL29389069 1.00 BACE1 (0.51) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL29386588 1.00 BACE1 (0.51) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL29711237 0.98 BACE1 (0.49) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL30512635 0.93 BACE1 (0.46) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL30578948 0.90 BACE1 (0.43) BACE1BACE2CTSD
SCHEMBL30842794 0.89 BACE1 (0.46) BACE1CTSD
SCHEMBL30242246 0.88 FOLH1 (0.43) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL31341151 0.88 BACE1 (0.56) BACE1BACE2CTSD
SCHEMBL30974509 0.88 GRIN2D (0.56) BACE1BACE2CTSDGRIN2DGRIN3B
SCHEMBL30512779 0.87 BACE1 (0.52) BACE1BACE2CTSDGRIN2DGRIN3B

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
EP-4067370-A1 HIGH PENETRATION PRODRUG COMPOSITIONS OF PEPTIDES AND PEPTIDE RELATED COMPOUNDS Yu, Chongxi (US) 2022-10-05 — — EP disclosed
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