SCHEMBL31031464

SCHEMBL31031464

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 9/20 0.53
▸ OPRK1 P41145 9/20 0.53
▸ RAMP3 O60896 7/20 0.52
▸ CALCR P30988 7/20 0.52
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ APLNR P35414 1/20 0.46
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 1/20 0.46
▸ EPHA2 P29317 1/20 0.46

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
SCHEMBL29421084 0.94 OPRM1 (0.52) OPRM1OPRK1RAMP3CALCRMAPK8
SCHEMBL30509906 0.92 OPRM1 (0.52) OPRM1OPRK1RAMP3CALCRMAPK8
SCHEMBL31088262 0.92 RAMP3 (0.48) OPRM1OPRK1RAMP3CALCRMAPK8
SCHEMBL29379382 0.90 NTSR2 (0.48) OPRM1OPRK1NMUR2NMUR1
SCHEMBL29701311 0.90 OPRM1 (0.46) OPRM1OPRK1RAMP3CALCRNMUR2
SCHEMBL29535207 0.89 OPRM1 (0.52) OPRM1OPRK1RAMP3CALCRAPLNR
SCHEMBL30844324 0.88 OPRM1 (0.51) OPRM1OPRK1RAMP3CALCRAPLNR
SCHEMBL29571998 0.88 OPRM1 (0.48) OPRM1OPRK1RAMP3CALCRAPLNR
SCHEMBL31031506 0.88 NTSR2 (0.48) OPRM1OPRK1NMUR2NMUR1
SCHEMBL31509204 0.88 NTSR2 (0.45) OPRM1OPRK1RAMP3CALCRNMUR2

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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