SCHEMBL30781490

SCHEMBL30781490

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ TASP1 Q9H6P5 1/20 0.47
▸ FURIN P09958 1/20 0.45
▸ PCSK6 P29122 1/20 0.45
▸ ENPEP Q07075 5/20 0.44
▸ KISS1R Q969F8 2/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.43
▸ EDNRA P25101 1/20 0.43
▸ VIPR1 P32241 1/20 0.42
▸ VIPR2 P41587 1/20 0.42

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
SCHEMBL30781481 1.00 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30781484 0.93 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30781479 0.93 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554826 0.87 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554819 0.85 VIPR2 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554818 0.85 GRIN2D (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31554821 0.84 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30658567 0.84 GRIN2D (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30539294 0.83 ENPEP (0.50) ENPEP
SCHEMBL31554823 0.83 GRIN2D (0.57) 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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