SCHEMBL30170480

SCHEMBL30170480

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 9/20 0.55
▸ GRIN2D O15399 1/20 0.51
▸ GRIN3B O60391 1/20 0.51
▸ GRIN1 Q05586 1/20 0.51
▸ GRIN2A Q12879 1/20 0.51
▸ GRIN2B Q13224 1/20 0.51
▸ GRIN2C Q14957 1/20 0.51
▸ GRIN3A Q8TCU5 1/20 0.51
▸ TASP1 Q9H6P5 1/20 0.47
▸ ENPEP Q07075 5/20 0.47
▸ BACE2 Q9Y5Z0 3/20 0.45
▸ CTSD P07339 2/20 0.45

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
SCHEMBL30365494 0.93 GRIN2D (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31287206 0.92 BACE1 (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29392675 0.92 BACE1 (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30974505 0.92 GRIN2D (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30432578 0.92 EGFR (0.46) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8976242 0.91 GRIN2D (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8976222 0.91 GRIN2D (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30242230 0.90 BACE1 (0.57) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31287203 0.90 GRIN2D (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31134498 0.90 ENPEP (0.57) BACE1GRIN2DGRIN3BGRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230139826-A1 COMBINATION TREATMENT OF STROKE WITH PLASMIN-CLEAVABLE PSD-95 INHIBITOR AND REPERFUSION NONO INC. (CA) 2023-05-04 — — US disclosed
CN-115551531-A Plasmin-cleavable PSD-95 inhibitor and reperfusion combined treatment of stroke 诺诺公司 2022-12-30 — — CN disclosed
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