SCHEMBL30973999

SCHEMBL30973999

CSCC[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O)C(C)C

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.58
▸ NMUR1 Q9HB89 5/20 0.58
▸ APLNR P35414 1/20 0.56
▸ NPY2R P49146 7/20 0.55
▸ NPY4R P50391 7/20 0.55
▸ NPY5R Q15761 7/20 0.55
▸ NPY1R P25929 5/20 0.55
▸ KDM1A O60341 2/20 0.54
▸ MAOB P27338 1/20 0.54
▸ KDM5A P29375 1/20 0.54
▸ KDM1B Q8NB78 1/20 0.54
▸ TFPI P10646 2/20 0.53

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
SCHEMBL30974393 0.94 NMUR2 (0.61) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30974386 0.93 NMUR2 (0.61) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL30495633 0.87 CALCR (0.62) NPY2RNPY4RNPY5RNPY1RTFPI
SCHEMBL30567243 0.87 APLNR (0.58) NMUR2NMUR1APLNRNPY2RNPY4R
SCHEMBL29549872 0.86 APLNR (0.58) NMUR2NMUR1APLNR
SCHEMBL31182608 0.86 NPY2R (0.59) NPY2RNPY4RNPY5RNPY1RKDM1A
SCHEMBL30272469 0.86 APLNR (0.58) NMUR2NMUR1APLNRNPY2RNPY4R
SCHEMBL30438334 0.86 MAPK8 (0.61) NMUR2NMUR1APLNRNPY2RNPY4R
SCHEMBL30712942 0.85 APLNR (0.59) APLNRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974482 0.85 NMUR2 (0.60) NMUR2NMUR1APLNR

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 claimed
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