SCHEMBL31171900

SCHEMBL31171900

CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.48
F2 P00734 1/20 0.45
NTSR2 O95665 9/20 0.43
NTSR1 P30989 9/20 0.43
OPRM1 P35372 1/20 0.43
NRP1 O14786 1/20 0.42
BDKRB2 P30411 1/20 0.41
SORT1 Q99523 3/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL7753988 0.87 F2 (0.51) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL7753982 0.87 F2 (0.51) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL30143365 0.86 F2 (0.47) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL29630464 0.86 LMNA (0.43) GRB2F2
SCHEMBL30787962 0.84 GRB2 (0.45) GRB2OPRM1BDKRB2
SCHEMBL30320536 0.84 OPRM1 (0.49) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL30424443 0.82 F2 (0.50) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL29922066 0.82 ACE (0.51) NTSR2NTSR1ACE
SCHEMBL30554067 0.81 F2 (0.50) GRB2F2NTSR2NTSR1OPRM1
SCHEMBL30435067 0.81 OPRM1 (0.55) GRB2F2NTSR2NTSR1OPRM1

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-118852383-A Application of abalone viscera protein peptide 集美大学 2024-10-29 CN disclosed