SCHEMBL31031470

SCHEMBL31031470

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 4/20 0.38
▸ OPRM1 P35372 3/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ PREP P48147 1/20 0.37
▸ FAP Q12884 1/20 0.37
▸ DPP8 Q6V1X1 1/20 0.37
▸ DPP9 Q86TI2 1/20 0.37
▸ F2 P00734 2/20 0.37
▸ OPRD1 P41143 2/20 0.37
▸ NTMT1 Q9BV86 2/20 0.37
▸ TACR1 P25103 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ CTSB P07858 1/20 0.35

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
SCHEMBL30138992 0.98 CAPN1 (0.40) CAPN1OPRM1DPP4PREPFAP
SCHEMBL30730414 0.91 CALCRL (0.38) OPRM1DPP4PREPFAPDPP8
SCHEMBL29763113 0.90 CAPN1 (0.41) CAPN1OPRM1DPP4PREPFAP
SCHEMBL29816594 0.90 PTGS1 (0.41) DPP4PREPFAPDPP8DPP9
SCHEMBL30493192 0.89 ITGB1 (0.36) DPP4PREPFAPDPP8DPP9
SCHEMBL29699495 0.88 KMT2A (0.43) CAPN1ITGB1ITGA4CTSB
SCHEMBL29816717 0.87 NTMT1 (0.50) OPRM1F2NTMT1ITGB3ITGA2B
SCHEMBL4258292 0.87 F2 (0.39) F2NTMT1ITGB3ITGA2BITGB1
SCHEMBL30139053 0.86 CAPN1 (0.42) CAPN1OPRM1DPP4PREPFAP
SCHEMBL28725265 0.85 OPRM1 (0.42) CAPN1OPRM1DPP4PREPFAP

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 claimed
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