SCHEMBL30974495

SCHEMBL30974495

C[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)O)[C@@H](C)O

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.67
▸ ACE P12821 2/20 0.55
▸ ERAP2 Q6P179 1/20 0.54
▸ MAGI3 Q5TCQ9 1/20 0.53
▸ PRMT1 Q99873 1/20 0.52
▸ ECE1 P42892 1/20 0.52

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
SCHEMBL28118356 0.94 GHSR (0.74) GHSRACEERAP2ECE1
SCHEMBL1712034 0.94 GHSR (0.74) GHSRACEERAP2ECE1
SCHEMBL2108899 0.94 GHSR (0.74) GHSRACEERAP2ECE1
SCHEMBL30974434 0.91 GHSR (0.56) GHSRACEERAP2
SCHEMBL31593376 0.90 PRMT1 (0.60) GHSRACEERAP2MAGI3PRMT1
SCHEMBL29973374 0.90 GHSR (0.63) GHSRERAP2ECE1
SCHEMBL30974377 0.90 GHSR (0.57) GHSRACEMAGI3
SCHEMBL29695659 0.90 GHSR (0.58) GHSRACEERAP2MAGI3ECE1
SCHEMBL21081909 0.90 GHSR (0.69) GHSRACEERAP2ECE1
SCHEMBL30974046 0.89 GHSR (0.63) GHSRACEERAP2ECE1

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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