SCHEMBL30974553

SCHEMBL30974553

N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ GLP1R P43220 10/20 0.52
▸ C5AR1 P21730 1/20 0.52
▸ GCGR P47871 1/20 0.51
▸ CXCR4 P61073 2/20 0.50
▸ IL23R Q5VWK5 2/20 0.50
▸ NPBWR1 P48145 1/20 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
SCHEMBL30974330 0.95 GLP1R (0.57) GLP1RC5AR1GCGRIL23R
SCHEMBL30974212 0.94 C5AR1 (0.56) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL30974091 0.92 C5AR1 (0.57) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29484172 0.90 C5AR1 (0.59) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29461990 0.90 C5AR1 (0.54) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL31732172 0.90 CTSL (0.51) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL29419495 0.89 C5AR1 (0.59) GLP1RC5AR1GCGRIL23RNPBWR1
SCHEMBL30518049 0.88 C5AR1 (0.53) CTSLCTSSCTSKCTSHGLP1R
SCHEMBL30518100 0.88 C5AR1 (0.63) GLP1RC5AR1IL23RNPBWR1
SCHEMBL30974064 0.87 GLP1R (0.50) GLP1RC5AR1GCGRCXCR4

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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