SCHEMBL31099288

SCHEMBL31099288

N=C(N)NCCC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.54
OPRM1 P35372 7/20 0.47
OPRK1 P41145 6/20 0.47
NTSR2 O95665 5/20 0.46
NTSR1 P30989 5/20 0.46
SORT1 Q99523 5/20 0.46
NRP1 O14786 3/20 0.46
GRB2 P62993 1/20 0.46
ACE P12821 1/20 0.43

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
SCHEMBL29607267 1.00 F2 (0.54) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL30392594 1.00 F2 (0.54) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL7164824 0.96 F2 (0.51) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL34464604 0.96 F2 (0.51) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL8579708 0.96 F2 (0.51) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL7164816 0.96 F2 (0.51) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL29695570 0.96 F2 (0.52) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL31099291 0.95 GRB2 (0.49) F2OPRM1NTSR2NTSR1SORT1
SCHEMBL29906667 0.95 NRP1 (0.52) F2OPRM1OPRK1NTSR2NTSR1
SCHEMBL31220452 0.95 F2 (0.49) F2OPRM1OPRK1NTSR2NTSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666947-A Polypeptide modified taxol 2' -hydroxycarbonylpentanoyl derivative and its synthesis, activity and application 首都医科大学 2024-09-20 CN claimed
CN-118666947-A Polypeptide modified taxol 2' -hydroxycarbonylpentanoyl derivative and its synthesis, activity and application 首都医科大学 2024-09-20 CN disclosed