SCHEMBL30974014

SCHEMBL30974014

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

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 11/20 0.48
▸ NPY1R P25929 7/20 0.48
▸ NPY2R P49146 5/20 0.48
▸ NPY5R Q15761 5/20 0.48
▸ KISS1R Q969F8 3/20 0.44
▸ KEAP1 Q14145 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43

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
SCHEMBL31605452 0.98 NPY4R (0.45) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31605449 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31605455 0.95 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31605453 0.95 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30159171 0.92 NPY4R (0.51) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL31344448 0.91 NPY4R (0.49) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30974502 0.91 KISS1R (0.48) KISS1R
SCHEMBL31605454 0.89 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RKISS1R
SCHEMBL31484239 0.88 BACE1 (0.49) NPY4RNPY1RNPY2RNPY5RKEAP1
SCHEMBL30159262 0.88 NPY4R (0.48) NPY4RNPY1RNPY2RNPY5RKEAP1

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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