SCHEMBL6324613

SCHEMBL6324613

CCC(C)C(NC(=O)CNC(=O)C1CCCN1C(=O)C(N)CS)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CS)C(=O)NC(CS)C(=O)NCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.48
▸ NTSR1 P30989 6/20 0.46
▸ NTSR2 O95665 4/20 0.45
▸ SORT1 Q99523 3/20 0.45

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
SCHEMBL6324625 1.00 OPRD1 (0.48) OPRD1NTSR1NTSR2SORT1
SCHEMBL30880891 0.82 NTSR1 (0.48) OPRD1NTSR1NTSR2
SCHEMBL30102186 0.81 XIAP (0.46) OPRD1NTSR1NTSR2SORT1
SCHEMBL29565033 0.80 ITGB3 (0.49) OPRD1NTSR1NTSR2
SCHEMBL30807543 0.79 ITGB3 (0.44) NTSR1NTSR2SORT1
SCHEMBL31693369 0.79 ITGB3 (0.47) OPRD1NTSR1NTSR2
SCHEMBL31336659 0.78 NTSR1 (0.50) OPRD1NTSR1NTSR2SORT1
SCHEMBL29565370 0.78 XIAP (0.50) —
SCHEMBL31232959 0.77 NTSR2 (0.48) OPRD1NTSR1NTSR2
SCHEMBL29566101 0.77 PTGS1 (0.43) OPRD1

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-6893843-B2 Nucleic acids Wiedow, Oliver (DE) 2005-05-17 — — US disclosed
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