SCHEMBL31346757

SCHEMBL31346757

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.55
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
CTSD P07339 3/20 0.49
VIPR2 P41587 3/20 0.49
VIPR1 P32241 3/20 0.48

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
SCHEMBL30512610 0.98 BACE1 (0.55) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30477366 0.96 BACE1 (0.58) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29919624 0.93 BACE1 (0.54) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30431393 0.91 GRIN2D (0.53) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30578947 0.90 BACE1 (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30176476 0.90 GRIN2D (0.59) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29453346 0.90 BACE1 (0.56) BACE1CTSDVIPR2VIPR1
SCHEMBL30182817 0.89 BACE1 (0.58) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL30959074 0.89 ENPEP (0.52) BACE1GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL29618247 0.89 BACE1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119390762-A Characteristic peptide segment for identifying antelope horn and detection method thereof 南京中医药大学 2025-02-07 CN claimed
CN-119390762-A Characteristic peptide segment for identifying antelope horn and detection method thereof 南京中医药大学 2025-02-07 CN disclosed
CN-119390762-A Characteristic peptide segment for identifying antelope horn and detection method thereof 南京中医药大学 2025-02-07 CN disclosed