SCHEMBL30974548

SCHEMBL30974548

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.35
FNTA P49354 5/20 0.35
FNTB P49356 5/20 0.35
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL17293240 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL3916112 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL9665720 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL3916119 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL3810013 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL29511173 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL749822 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL749821 0.93 CTRB1 (0.37) MMEACECPA1ACE2
SCHEMBL30913884 0.92 BACE1 (0.40) BACE1FNTAFNTBCASP3CASP7
SCHEMBL30913885 0.92 BACE1 (0.40) BACE1FNTAFNTBCASP3CASP7

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