SCHEMBL24610962

SCHEMBL24610962

Cc1noc(-c2cc3cc(Br)cc(F)c3nc2N2CCC3(CC2)OCCO3)n1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.50
▸ OPRM1 P35372 8/20 0.50

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
SCHEMBL24610985 0.88 OPRK1 (0.51) OPRK1OPRM1
SCHEMBL20670802 0.88 OPRK1 (0.50) OPRK1OPRM1
SCHEMBL20670934 0.88 OPRK1 (0.61) OPRK1OPRM1
SCHEMBL20670665 0.87 OPRK1 (0.67) OPRK1OPRM1
SCHEMBL20670668 0.87 OPRK1 (0.49) OPRK1OPRM1
SCHEMBL20670864 0.87 OPRK1 (0.62) OPRK1OPRM1
SCHEMBL20499953 0.86 OPRK1 (0.51) OPRK1OPRM1
SCHEMBL20670804 0.86 OPRK1 (0.51) OPRK1OPRM1
SCHEMBL20499931 0.84 OPRK1 (0.66) OPRK1OPRM1
SCHEMBL24610982 0.82 OPRK1 (0.50) OPRK1OPRM1

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-3596069-B1 KAPPA OPIOID RECEPTOR ANTAGONISTS AND PRODUCTS AND METHODS RELATED THERETO SCRIPPS RESEARCH INST (US) 2022-07-13 — — EP disclosed
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