SCHEMBL30974346

SCHEMBL30974346

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 4/20 0.41
▸ OPRD1 P41143 4/20 0.41
▸ OPRK1 P41145 2/20 0.41
▸ F2 P00734 4/20 0.39
▸ CTSB P07858 1/20 0.37
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL31241621 0.93 OPRD1 (0.44) OPRM1OPRD1OPRK1CTSB
SCHEMBL31257981 0.93 OPRD1 (0.44) OPRM1OPRD1OPRK1CTSB
SCHEMBL31241620 0.90 OPRD1 (0.42) OPRM1OPRD1OPRK1CTSB
SCHEMBL29883969 0.90 MME (0.40) PTPN1
SCHEMBL30425532 0.89 MC4R (0.45) F2PTPN1
SCHEMBL29367112 0.88 NPY1R (0.40) —
SCHEMBL29367110 0.88 NPY1R (0.40) —
SCHEMBL31757234 0.88 OPRD1 (0.42) OPRM1OPRD1OPRK1F2CTSB
SCHEMBL29782800 0.87 OPRD1 (0.55) OPRM1OPRD1OPRK1CTSB
SCHEMBL30032557 0.87 CTSB (0.44) OPRM1OPRD1OPRK1CTSB

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
Send feedback