SCHEMBL30570970

SCHEMBL30570970

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

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.55
▸ CTSL P07711 3/20 0.52
▸ CTSS P25774 3/20 0.52
▸ CTSK P43235 3/20 0.52
▸ CTSH P09668 1/20 0.52
▸ C5AR1 P21730 1/20 0.51
▸ CXCR4 P61073 4/20 0.50
▸ EPHA2 P29317 2/20 0.50
▸ CALCR P30988 6/20 0.49
▸ RAMP3 O60896 3/20 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
SCHEMBL30570976 0.96 APLNR (0.55) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30997477 0.90 F2 (0.52) APLNRCTSLCTSSCTSKCTSH
SCHEMBL30262103 0.89 F2 (0.60) CALCRRAMP3
SCHEMBL30862104 0.88 CTSL (0.52) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31356966 0.88 C5AR1 (0.61) APLNRCTSLCTSSCTSKCTSH
SCHEMBL29880330 0.87 C5AR1 (0.64) C5AR1CXCR4EPHA2
SCHEMBL30262106 0.87 CALCR (0.61) APLNRCTSLCTSSCTSKCTSH
SCHEMBL31182565 0.86 CXCR4 (0.63) CXCR4CALCRRAMP3
SCHEMBL30208250 0.86 EPHA2 (0.56) CTSLCTSSCTSKCTSHC5AR1
SCHEMBL30973967 0.86 CTSL (0.57) APLNRCTSLCTSSCTSKCTSH

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-116589528-A Lumbricus guangdong characteristic peptide and application thereof 江阴天江药业有限公司 2023-08-15 — — CN claimed
CN-116589528-A Lumbricus guangdong characteristic peptide and application thereof 江阴天江药业有限公司 2023-08-15 — — CN disclosed
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