SCHEMBL31287206

SCHEMBL31287206

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 11/20 0.53
▸ GRIN2D O15399 1/20 0.52
▸ GRIN3B O60391 1/20 0.52
▸ GRIN1 Q05586 1/20 0.52
▸ GRIN2A Q12879 1/20 0.52
▸ GRIN2B Q13224 1/20 0.52
▸ GRIN2C Q14957 1/20 0.52
▸ GRIN3A Q8TCU5 1/20 0.52
▸ BACE2 Q9Y5Z0 2/20 0.48
▸ CTSD P07339 2/20 0.48
▸ TASP1 Q9H6P5 1/20 0.48
▸ ENPEP Q07075 5/20 0.48
▸ NTSR2 O95665 1/20 0.43
▸ NTSR1 P30989 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
SCHEMBL29392675 1.00 BACE1 (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30365494 0.95 GRIN2D (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30974262 0.94 BACE1 (0.54) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30974505 0.93 GRIN2D (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8976242 0.92 GRIN2D (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8976222 0.92 GRIN2D (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30170480 0.92 BACE1 (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31134498 0.91 ENPEP (0.57) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31287203 0.91 GRIN2D (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29732605 0.91 BACE1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113735938-B Neuroprotective polypeptide compound and application thereof 英纳氏(珠海)药业有限公司 2024-11-08 — — CN disclosed
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