SCHEMBL12899263

SCHEMBL12899263

C[C@@H](O)[C@H](N)C(=O)NC(CCCCN)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 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.48
OPRK1 P41145 9/20 0.48
GRB2 P62993 1/20 0.46
F2 P00734 1/20 0.45
NRP1 O14786 1/20 0.44
CXCR4 P61073 1/20 0.44
RAMP3 O60896 2/20 0.42
CALCR P30988 2/20 0.42
NTSR2 O95665 1/20 0.42
NTSR1 P30989 1/20 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
SCHEMBL194515 1.00 OPRM1 (0.48) OPRM1OPRK1GRB2F2NRP1
SCHEMBL21043608 1.00 OPRM1 (0.48) OPRM1OPRK1GRB2F2NRP1
SCHEMBL1247799 1.00 OPRM1 (0.48) OPRM1OPRK1GRB2F2NRP1
SCHEMBL7263725 1.00 OPRM1 (0.48) OPRM1OPRK1GRB2F2NRP1
SCHEMBL1247795 1.00 OPRM1 (0.48) OPRM1OPRK1GRB2F2NRP1
SCHEMBL12261069 0.97 GRB2 (0.50) OPRM1OPRK1GRB2F2NRP1
SCHEMBL13084631 0.97 GRB2 (0.50) OPRM1OPRK1GRB2F2NRP1
SCHEMBL14227389 0.97 GRB2 (0.50) OPRM1OPRK1GRB2F2NRP1
SCHEMBL12899266 0.97 GRB2 (0.50) OPRM1OPRK1GRB2F2NRP1
SCHEMBL12237919 0.97 GRB2 (0.50) OPRM1OPRK1GRB2F2NRP1

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
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 US disclosed