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SCHEMBL31005064

SCHEMBL31005064

CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O)[C@@H](C)O)C(C)C

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 1/20 0.63
▸ F2 P00734 4/20 0.61
▸ NPY2R P49146 8/20 0.60
▸ NPY4R P50391 8/20 0.60
▸ NPY5R Q15761 8/20 0.60
▸ NPY1R P25929 6/20 0.60
▸ CALCR P30988 4/20 0.58
▸ TFPI P10646 1/20 0.57

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
SCHEMBL30974086 0.96 C5AR1 (0.65) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30974342 0.96 NPY2R (0.63) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30974236 0.94 C5AR1 (0.61) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30973953 0.93 C5AR1 (0.63) C5AR1NPY2RNPY4RNPY5RNPY1R
SCHEMBL30974546 0.90 C5AR1 (0.60) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30607449 0.89 CALCR (0.64) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30495758 0.89 CALCR (0.72) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL31182473 0.89 NPY2R (0.70) F2NPY2RNPY4RNPY5RNPY1R
SCHEMBL30432646 0.89 CALCR (0.67) C5AR1F2NPY2RNPY4RNPY5R
SCHEMBL30818417 0.89 TFPI (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4390399-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIV GDANSKI (PL) 2025-07-16 — — EP claimed
EP-4390399-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP claimed
EP-4390399-B1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIV GDANSKI (PL) 2025-07-16 — — EP disclosed
EP-4390399-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DAIGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE Uniwersytet Gdanski (PL) 2024-06-26 — — EP disclosed
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