SCHEMBL25083892

SCHEMBL25083892

CCC(C)C(NC(=O)C(N)CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CCSC)C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 3/20 0.49
▸ GRIN2D O15399 1/20 0.46
▸ GRIN3B O60391 1/20 0.46
▸ GRIN1 Q05586 1/20 0.46
▸ GRIN2A Q12879 1/20 0.46
▸ GRIN2B Q13224 1/20 0.46
▸ GRIN2C Q14957 1/20 0.46
▸ GRIN3A Q8TCU5 1/20 0.46
▸ NTSR2 O95665 1/20 0.42
▸ NTSR1 P30989 1/20 0.42
▸ CCNA2 P20248 2/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CCNA1 P78396 2/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.41
▸ F2 P00734 1/20 0.40
▸ ENPEP Q07075 5/20 0.40

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
SCHEMBL24725395 0.92 BACE1 (0.48) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24725397 0.92 BACE1 (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24725396 0.87 BACE1 (0.47) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29465440 0.86 GRIN2D (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29646562 0.86 BACE1 (0.58) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29679591 0.86 NTSR2 (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL24724812 0.86 BACE1 (0.47) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL31663474 0.86 BACE1 (0.51) BACE1NTSR2NTSR1CCNA2CDK2
SCHEMBL29556987 0.85 NTSR2 (0.51) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30996905 0.84 BACE1 (0.54) BACE1NTSR2NTSR1CCNA2CDK2

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
WO-2023028338-A2 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2023-03-02 — — WO disclosed
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