SCHEMBL30781484

SCHEMBL30781484

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.47
▸ GRIN3B O60391 1/20 0.47
▸ GRIN1 Q05586 1/20 0.47
▸ GRIN2A Q12879 1/20 0.47
▸ GRIN2B Q13224 1/20 0.47
▸ GRIN2C Q14957 1/20 0.47
▸ GRIN3A Q8TCU5 1/20 0.47
▸ KISS1R Q969F8 2/20 0.46
▸ ENPEP Q07075 5/20 0.46
▸ VIPR2 P41587 6/20 0.46
▸ VIPR1 P32241 4/20 0.46
▸ NTSR2 O95665 1/20 0.45
▸ NTSR1 P30989 1/20 0.45
▸ BACE1 P56817 1/20 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
SCHEMBL30781479 1.00 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30781481 0.93 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30781490 0.93 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30539294 0.91 ENPEP (0.50) ENPEP
SCHEMBL31554818 0.89 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554819 0.89 VIPR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31174231 0.89 VIPR1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554826 0.88 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30242230 0.88 BACE1 (0.57) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL23780372 0.87 ENPEP (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-117402216-A Octapeptide, and composition and use thereof 深圳市维琪科技股份有限公司 2024-01-16 — — CN claimed
CN-117402216-B Octapeptide, and composition and use thereof 深圳市维琪科技股份有限公司 2024-02-13 — — CN disclosed
CN-117402216-A Octapeptide, and composition and use thereof 深圳市维琪科技股份有限公司 2024-01-16 — — CN disclosed
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