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SCHEMBL31065167

SCHEMBL31065167

C[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CS)C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.62
▸ CXCR4 P61073 12/20 0.62
▸ CTSL P07711 3/20 0.60
▸ CTSS P25774 3/20 0.60
▸ CTSK P43235 3/20 0.60
▸ CTSH P09668 1/20 0.59
▸ GLP1R P43220 3/20 0.57
▸ GCGR P47871 3/20 0.57

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
SCHEMBL29966075 0.96 CXCR4 (0.65) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29966276 0.96 CXCR4 (0.65) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29966029 0.96 CXCR4 (0.65) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29966255 0.96 CXCR4 (0.65) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL31332562 0.92 CXCR4 (0.60) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL29851115 0.92 CXCR4 (0.60) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL31561788 0.90 CXCR4 (0.60) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30603101 0.89 CXCR4 (0.61) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL30917323 0.87 CXCR4 (0.56) C5AR1CXCR4CTSLCTSSCTSK
SCHEMBL31591524 0.85 C5AR1 (0.65) C5AR1CXCR4CTSLCTSSCTSK

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
CN-118598965-A Mu-conotoxin peptide [ Gly ]17'R-mu' -CnIIIC and its application 深圳肽盛生物科技有限公司 2024-09-06 — — CN disclosed
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