SCHEMBL29638061

SCHEMBL29638061

CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.67
▸ CTSS P25774 3/20 0.67
▸ CTSK P43235 3/20 0.67
▸ CTSH P09668 1/20 0.67
▸ CXCR4 P61073 4/20 0.58
▸ NMBR P28336 2/20 0.57
▸ GRPR P30550 2/20 0.57
▸ NPY1R P25929 1/20 0.55
▸ NPY2R P49146 1/20 0.55
▸ NPY4R P50391 1/20 0.55
▸ NPY5R Q15761 1/20 0.55
▸ KISS1R Q969F8 3/20 0.54
▸ C5AR1 P21730 1/20 0.54
▸ GLP1R P43220 4/20 0.54
▸ GCGR P47871 4/20 0.54
▸ GIPR P48546 1/20 0.54

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
SCHEMBL29638083 0.98 CTSL (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31725194 0.91 CTSL (0.63) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30631666 0.91 CTSL (0.62) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31182510 0.88 C5AR1 (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30091430 0.87 CTSL (0.67) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31475687 0.87 CTSL (0.66) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31307939 0.87 CXCR4 (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL30262205 0.87 CTSL (0.65) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31475675 0.86 CTSL (0.60) CTSLCTSSCTSKCTSHCXCR4
SCHEMBL31194149 0.86 KISS1R (0.62) CTSLCTSSCTSKCTSHCXCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4591934-A2 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2025-07-30 — — EP disclosed
EP-4523749-A2 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2025-03-19 — — EP disclosed
EP-4029512-A1 VARIANTS OF C-TYPE NATRIURETIC PEPTIDE BioMarin Pharmaceutical Inc. (US) 2022-07-20 — — EP disclosed
EP-4019038-A2 USE OF C-TYPE NATRIURETIC PEPTIDE VARIANTS TO TREAT OSTEOARTHRITIS BioMarin Pharmaceutical Inc. (US) 2022-06-29 — — EP disclosed
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