Sugi Predict

Sugi Predict / Compounds / SCHEMBL31005061

SCHEMBL31005061

SCHEMBL31005061

CC[C@H](C)[C@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CN)[C@@H](C)CC)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CALCR P30988 4/20 0.62
▸ NPY2R P49146 10/20 0.59
▸ NPY4R P50391 8/20 0.59
▸ NPY5R Q15761 8/20 0.59
▸ NPY1R P25929 8/20 0.59
▸ F2 P00734 3/20 0.58
▸ CRHR1 P34998 1/20 0.58
▸ CRHR2 Q13324 1/20 0.58
▸ HCRTR1 O43613 1/20 0.57
▸ HCRTR2 O43614 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
SCHEMBL30974242 0.97 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974481 0.92 C5AR1 (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29408449 0.91 F2 (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29408452 0.91 F2 (0.61) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495758 0.91 CALCR (0.72) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974573 0.91 C5AR1 (0.57) CALCRF2
SCHEMBL29812583 0.90 CALCR (0.62) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL29812696 0.90 CALCR (0.60) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30495635 0.90 NPY2R (0.66) CALCRNPY2RNPY4RNPY5RNPY1R
SCHEMBL30974189 0.90 F2 (0.56) CALCRF2

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
Send feedback