SCHEMBL30974480

SCHEMBL30974480

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

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CCKBR P32239 6/20 0.50
▸ CCKAR P32238 5/20 0.50
▸ C5AR1 P21730 2/20 0.49
▸ OPRD1 P41143 1/20 0.48
▸ GLP1R P43220 5/20 0.48
▸ CXCR4 P61073 1/20 0.47
▸ UTS2R Q9UKP6 1/20 0.47
▸ GHSR Q92847 1/20 0.47
▸ MMP1 P03956 1/20 0.46
▸ GCGR P47871 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46

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
SCHEMBL30974064 0.97 GLP1R (0.50) CCKBRCCKARC5AR1OPRD1GLP1R
SCHEMBL31267948 0.93 PRMT1 (0.49) CCKBRCCKARC5AR1OPRD1CXCR4
SCHEMBL30518108 0.92 GHSR (0.52) C5AR1OPRD1UTS2RGHSRPRMT1
SCHEMBL30974091 0.92 C5AR1 (0.57) C5AR1GLP1RCXCR4GCGR
SCHEMBL30974212 0.90 C5AR1 (0.56) C5AR1GLP1RCXCR4GCGR
SCHEMBL30974330 0.90 GLP1R (0.57) C5AR1GLP1RGCGR
SCHEMBL30511103 0.89 CCKBR (0.48) CCKBRCCKARC5AR1OPRD1CXCR4
SCHEMBL9390811 0.88 PRMT1 (0.53) CCKBRCCKARC5AR1OPRD1UTS2R
SCHEMBL9390818 0.88 PRMT1 (0.53) CCKBRCCKARC5AR1OPRD1UTS2R
SCHEMBL29484172 0.87 C5AR1 (0.59) C5AR1GLP1RCXCR4GHSRGCGR

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
Send feedback