SCHEMBL30974525

SCHEMBL30974525

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

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.55
▸ OPRD1 P41143 4/20 0.55
▸ NPY2R P49146 7/20 0.51
▸ NPY4R P50391 7/20 0.51
▸ NPY5R Q15761 7/20 0.51
▸ NPY1R P25929 5/20 0.51
▸ BDKRB2 P30411 1/20 0.50
▸ RAMP3 O60896 1/20 0.50
▸ CALCR P30988 1/20 0.50

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
SCHEMBL30974326 0.93 OPRD1 (0.58) OPRM1OPRD1BDKRB2RAMP3CALCR
SCHEMBL30974408 0.93 OPRD1 (0.56) OPRM1OPRD1BDKRB2
SCHEMBL30974025 0.93 OPRM1 (0.58) OPRM1OPRD1
SCHEMBL29679769 0.87 OPRD1 (0.56) OPRM1OPRD1
SCHEMBL30824299 0.87 CALCR (0.61) OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL29388662 0.86 CALCRL (0.61) OPRM1OPRD1CALCR
SCHEMBL29679890 0.86 OPRM1 (0.63) OPRM1OPRD1NPY2RNPY4RNPY5R
SCHEMBL29949421 0.85 CALCRL (0.59) OPRM1OPRD1CALCR
SCHEMBL29949393 0.85 CALCRL (0.59) OPRM1OPRD1CALCR
SCHEMBL31000912 0.85 CALCR (0.54) NPY2RNPY4RNPY5RNPY1RCALCR

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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