SCHEMBL30320536

SCHEMBL30320536

CSCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
F2 P00734 1/20 0.46
NTSR1 P30989 4/20 0.44
NTSR2 O95665 3/20 0.44
NRP1 O14786 1/20 0.43
GRB2 P62993 1/20 0.42
ACE P12821 2/20 0.42

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
SCHEMBL30434957 0.90 OPRM1 (0.57) OPRM1F2NTSR1NTSR2NRP1
SCHEMBL30435067 0.90 OPRM1 (0.55) OPRM1F2NTSR1NTSR2NRP1
SCHEMBL30286828 0.89 OPRM1 (0.52) OPRM1F2NTSR1NTSR2NRP1
SCHEMBL7753988 0.87 F2 (0.51) OPRM1F2NTSR1NTSR2GRB2
SCHEMBL7753982 0.87 F2 (0.51) OPRM1F2NTSR1NTSR2GRB2
SCHEMBL417517 0.86 OPRM1 (0.45) OPRM1NTSR1NTSR2
SCHEMBL417518 0.86 OPRM1 (0.45) OPRM1NTSR1NTSR2
SCHEMBL30723553 0.85 OPRM1 (0.53) OPRM1F2NTSR1NTSR2
SCHEMBL30305028 0.85 NTSR1 (0.45) F2NTSR1NTSR2
SCHEMBL31326909 0.85 CXCR4 (0.45) OPRM1F2NRP1

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
CN-111269289-B Tumor cell affinity peptide separated from venenum bufonis and screening method thereof 南京中医药大学 2023-04-18 CN disclosed