SCHEMBL31031508

SCHEMBL31031508

CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 7/20 0.40
BACE1 P56817 7/20 0.40
NPY1R P25929 5/20 0.40
NPY2R P49146 4/20 0.40
NPY5R Q15761 4/20 0.40
CTSD P07339 3/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
SIRT5 Q9NXA8 1/20 0.40
VIPR1 P32241 1/20 0.37

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
SCHEMBL29994008 0.94 NPY4R (0.42) NPY4RBACE1NPY1RNPY2RNPY5R
SCHEMBL29603879 0.92 NPY4R (0.44) NPY4RBACE1NPY1RNPY2RNPY5R
SCHEMBL31314418 0.91 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29409594 0.91 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31313312 0.90 SIRT2 (0.47) BACE1CTSDSIRT2SIRT5VIPR1
SCHEMBL30415405 0.90 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R
SCHEMBL29486955 0.90 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R
SCHEMBL31031511 0.90 SIRT2 (0.43) NPY4RNPY1RNPY5RSIRT2SIRT5
SCHEMBL4093290 0.88 OPRM1 (0.46)
SCHEMBL4093294 0.88 OPRM1 (0.46)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 WO claimed
WO-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 WO disclosed