SCHEMBL30974386

SCHEMBL30974386

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NMUR2 Q9GZQ4 5/20 0.61
▸ NMUR1 Q9HB89 5/20 0.61
▸ EPHA2 P29317 2/20 0.55
▸ NPY2R P49146 7/20 0.54
▸ NPY4R P50391 7/20 0.54
▸ NPY5R Q15761 7/20 0.54
▸ NPY1R P25929 5/20 0.54
▸ BDKRB2 P30411 1/20 0.54
▸ KDM1A O60341 2/20 0.53
▸ OPRM1 P35372 1/20 0.53
▸ OPRD1 P41143 1/20 0.53
▸ TFPI P10646 1/20 0.53
▸ MAOB P27338 1/20 0.52
▸ KDM5A P29375 1/20 0.52
▸ KDM1B Q8NB78 1/20 0.52

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
SCHEMBL30973999 0.93 NMUR2 (0.58) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31285757 0.89 NMUR2 (0.68) NMUR2NMUR1EPHA2OPRM1OPRD1
SCHEMBL30974393 0.88 NMUR2 (0.61) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL9838089 0.88 NMUR2 (0.57) NMUR2NMUR1EPHA2BDKRB2OPRM1
SCHEMBL30974482 0.87 NMUR2 (0.60) NMUR2NMUR1EPHA2BDKRB2OPRM1
SCHEMBL38665603 0.86 EPHA2 (0.60) NMUR2NMUR1EPHA2OPRM1OPRD1
SCHEMBL30176414 0.86 TFPI (0.64) NMUR2NMUR1EPHA2NPY2RNPY4R
SCHEMBL30176437 0.86 TFPI (0.64) NMUR2NMUR1EPHA2NPY2RNPY4R
SCHEMBL31129135 0.86 NPY2R (0.60) NMUR2NMUR1NPY2RNPY4RNPY5R
SCHEMBL31129148 0.86 NPY2R (0.60) NMUR2NMUR1NPY2RNPY4RNPY5R

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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