SCHEMBL30974468

SCHEMBL30974468

C[C@@H](O)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 9/20 0.53
▸ NPY1R P25929 5/20 0.53
▸ NPY2R P49146 5/20 0.53
▸ NPY5R Q15761 4/20 0.53
▸ C5AR1 P21730 1/20 0.52
▸ GLP1R P43220 4/20 0.51
▸ SCTR P47872 1/20 0.51
▸ VIPR2 P41587 4/20 0.49
▸ GHSR Q92847 2/20 0.49
▸ VIPR1 P32241 2/20 0.49
▸ GCGR P47871 1/20 0.47

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
SCHEMBL29519822 0.94 GLP1R (0.52) NPY4RNPY1RNPY2RNPY5RGLP1R
SCHEMBL30974032 0.93 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL30974013 0.93 GLP1R (0.57) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL30974539 0.92 BACE1 (0.47) NPY4RNPY1RNPY2RC5AR1GLP1R
SCHEMBL30974127 0.90 GLP1R (0.44) NPY4RNPY1RNPY2RC5AR1GLP1R
SCHEMBL38662819 0.90 VIPR2 (0.56) GLP1RSCTRVIPR2VIPR1GCGR
SCHEMBL30974435 0.89 NPY4R (0.56) NPY4RNPY1RNPY2RNPY5RGLP1R
SCHEMBL30592739 0.89 C5AR1 (0.55) NPY4RNPY1RNPY2RNPY5RC5AR1
SCHEMBL30176491 0.89 VIPR2 (0.60) GLP1RSCTRVIPR2VIPR1
SCHEMBL29461974 0.89 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RC5AR1

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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