SCHEMBL30974377

SCHEMBL30974377

C[C@H](NC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)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 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 5/20 0.57
▸ ACE P12821 2/20 0.52
▸ ERBB2 P04626 1/20 0.51
▸ IL23R Q5VWK5 1/20 0.51
▸ MAGI3 Q5TCQ9 1/20 0.51

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
SCHEMBL30974279 0.95 PRMT1 (0.55) GHSRIL23R
SCHEMBL30973994 0.94 PRMT1 (0.58) GHSRIL23R
SCHEMBL30974434 0.93 GHSR (0.56) GHSRACE
SCHEMBL30974132 0.90 PRMT1 (0.64) GHSRIL23R
SCHEMBL30974495 0.90 GHSR (0.67) GHSRACEMAGI3
SCHEMBL30486082 0.90 IL23R (0.60) ERBB2IL23R
SCHEMBL30486085 0.90 IL23R (0.60) ERBB2IL23R
SCHEMBL30486083 0.90 IL23R (0.60) ERBB2IL23R
SCHEMBL30974062 0.89 PRMT1 (0.57) GHSRIL23R
SCHEMBL31593374 0.87 GHSR (0.64) GHSRACE

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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