SCHEMBL21090035

SCHEMBL21090035

CN1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C2[C@H]1COC[C@@H]2N1CCCC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 17/20 0.79
OPRM1 P35372 7/20 0.79

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
SCHEMBL23494611 1.00 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL21090020 1.00 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL21090032 1.00 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL23515446 1.00 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL21090036 1.00 OPRK1 (0.79) OPRK1OPRM1
SCHEMBL3765258 0.89 OPRK1 (1.00) OPRK1OPRM1
SCHEMBL23515478 0.88 OPRK1 (0.81) OPRK1OPRM1
SCHEMBL23515477 0.88 OPRK1 (0.81) OPRK1OPRM1
SCHEMBL21090624 0.88 OPRK1 (0.81) OPRK1OPRM1
SCHEMBL21090136 0.88 OPRK1 (0.81) 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
WO-2019113419-A1 PYRANO[3,4-B]PYRAZINE KAPPA OPIOID RECEPTOR LIGANDS FOR TREATING ADDICTION, PRURITUS, PAIN, AND INFLAMMATION THE ROCKEFELLER UNIVERSITY (US) 2019-06-13 WO disclosed