SCHEMBL31031620

SCHEMBL31031620

CC(C)[C@H](N)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PREP P48147 2/20 0.40
▸ XIAP P98170 1/20 0.40
▸ DPP4 P27487 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ CALCRL Q16602 4/20 0.39
▸ CAPN1 P07384 4/20 0.38
▸ PSMB9 P28065 1/20 0.38
▸ GRB2 P62993 1/20 0.38
▸ CMA1 P23946 1/20 0.38
▸ OPRM1 P35372 1/20 0.38
▸ OPRD1 P41143 1/20 0.38
▸ RAMP1 O60894 1/20 0.37
▸ DPP3 Q9NY33 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ CTSB P07858 1/20 0.36

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
SCHEMBL30575171 0.86 PREP (0.42) PREPDPP4FAP
SCHEMBL31031470 0.85 CAPN1 (0.38) PREPDPP4FAPCAPN1OPRM1
SCHEMBL29580398 0.85 GRB2 (0.44) PREPXIAPDPP4FAPCALCRL
SCHEMBL29763113 0.84 CAPN1 (0.41) PREPDPP4FAPCALCRLCAPN1
SCHEMBL30138992 0.83 CAPN1 (0.40) PREPDPP4FAPCAPN1PSMB9
SCHEMBL30853261 0.82 ACE (0.42) PREPXIAPDPP4FAPCALCRL
SCHEMBL29565363 0.82 OPRM1 (0.43) PREPXIAPDPP4FAPGRB2
SCHEMBL30052339 0.81 PREP (0.49) PREPDPP4FAP
SCHEMBL29760955 0.81 OPRM1 (0.41) CALCRLCAPN1PSMB9OPRM1OPRD1
SCHEMBL30139051 0.80 OPRM1 (0.44) PREPXIAPDPP4FAPCALCRL

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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