SCHEMBL21170929

SCHEMBL21170929

Cc1cnc(N2CCC(NC3CCCCC3)CC2)c(-c2ncco2)c1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 20/20 0.75
▸ OPRM1 P35372 1/20 0.52
▸ OPRD1 P41143 1/20 0.52

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
SCHEMBL16944695 0.86 OPRK1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL16944752 0.84 OPRK1 (1.00) OPRK1
SCHEMBL16944741 0.84 OPRK1 (1.00) OPRK1
SCHEMBL21170992 0.81 OPRK1 (0.86) OPRK1
SCHEMBL18993305 0.81 OPRK1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL16944947 0.81 OPRK1 (1.00) OPRK1OPRM1OPRD1
SCHEMBL16945045 0.78 OPRK1 (1.00) OPRK1
SCHEMBL21171737 0.78 OPRK1 (0.76) OPRK1
SCHEMBL16945088 0.77 OPRK1 (1.00) OPRK1
SCHEMBL16944608 0.76 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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