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SCHEMBL30567452

SCHEMBL30567452

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

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TFPI P10646 1/20 0.58
▸ RXFP1 Q9HBX9 3/20 0.56
▸ GRIN2D O15399 1/20 0.55
▸ GRIN3B O60391 1/20 0.55
▸ GRIN1 Q05586 1/20 0.55
▸ GRIN2A Q12879 1/20 0.55
▸ GRIN2B Q13224 1/20 0.55
▸ GRIN2C Q14957 1/20 0.55
▸ GRIN3A Q8TCU5 1/20 0.55
▸ VIPR1 P32241 5/20 0.53
▸ VIPR2 P41587 6/20 0.51
▸ TASP1 Q9H6P5 1/20 0.50
▸ PTH1R Q03431 2/20 0.49

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
SCHEMBL30567430 0.96 TFPI (0.60) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL30662325 0.91 VIPR1 (0.58) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL30712884 0.89 VIPR1 (0.57) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL29805066 0.89 GRIN2D (0.52) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL29416066 0.89 GRIN2D (0.52) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL30432907 0.88 VIPR1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31019331 0.88 VIPR1 (0.53) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL30463853 0.88 GRIN2D (0.64) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL31287215 0.88 GRIN2D (0.53) TFPIRXFP1GRIN2DGRIN3BGRIN1
SCHEMBL29424990 0.88 VIPR1 (0.52) TFPIRXFP1GRIN2DGRIN3BGRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116789764-B Preparation method of anti-coronavirus polypeptide 北京悦康科创医药科技股份有限公司 2025-01-03 — — CN disclosed
CN-116789764-A Preparation method of high-efficiency broad-spectrum anti-coronavirus polypeptide 北京悦康科创医药科技股份有限公司 2023-09-22 — — CN disclosed
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