SCHEMBL21171737

SCHEMBL21171737

c1ccc2nc(N3CCC(NC4CCCCC4)CC3)c(-c3ncco3)cc2c1

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.76

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
SCHEMBL18994676 0.87 OPRK1 (1.00) OPRK1
SCHEMBL16944742 0.87 OPRK1 (1.00) OPRK1
SCHEMBL16944767 0.85 OPRK1 (1.00) OPRK1
SCHEMBL16944737 0.85 OPRK1 (1.00) OPRK1
SCHEMBL16944726 0.80 OPRK1 (1.00) OPRK1
SCHEMBL18993353 0.78 OPRK1 (1.00) OPRK1
SCHEMBL21170929 0.78 OPRK1 (0.75) OPRK1
SCHEMBL16945007 0.77 OPRK1 (1.00) OPRK1
SCHEMBL16944765 0.76 OPRK1 (1.00) OPRK1
SCHEMBL16944826 0.75 OPRK1 (1.00) OPRK1

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
EP-2884978-B1 NOVEL KAPPA OPIOID LIGANDS SCRIPPS RESEARCH INST (US) 2019-07-17 — — EP disclosed
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