SCHEMBL31031529

SCHEMBL31031529

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)[C@@H](NC(=O)CN)[C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAMP3 O60896 10/20 0.48
▸ CALCR P30988 10/20 0.48
▸ NPY2R P49146 7/20 0.48
▸ NPY4R P50391 7/20 0.48
▸ NPY5R Q15761 7/20 0.48
▸ NPY1R P25929 5/20 0.48
▸ MAPK8 P45983 1/20 0.47
▸ MAPK9 P45984 1/20 0.47
▸ MAPK10 P53779 1/20 0.47
▸ NMUR2 Q9GZQ4 1/20 0.46
▸ NMUR1 Q9HB89 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
SCHEMBL31031598 1.00 RAMP3 (0.48) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31034404 0.95 MAPK8 (0.52) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31031488 0.93 NPY2R (0.49) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31034479 0.91 MAPK8 (0.51) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31066830 0.88 MAPK8 (0.56) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30974421 0.86 RAMP3 (0.54) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL29612007 0.85 MAPK8 (0.47) NPY2RNPY4RNPY5RNPY1RMAPK8
SCHEMBL30974442 0.85 RAMP3 (0.55) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL30844081 0.85 MAPK8 (0.45) RAMP3CALCRNPY2RNPY4RNPY5R
SCHEMBL31376412 0.85 RAMP3 (0.54) RAMP3CALCRNPY2RNPY4RNPY5R

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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