SCHEMBL20170595

SCHEMBL20170595

C=C(C)c1cc(OC)c(O)c2c1C1(C)C[C@]23CC(=O)CCC3C1NCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36

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
SCHEMBL20170821 0.83 GAA (0.36) GAA
SCHEMBL20170851 0.82 GAA (0.34) GAA
SCHEMBL20170666 0.77 GAA (0.37) GAA
SCHEMBL12944985 0.77 GAA (0.38) GAA
SCHEMBL20170609 0.76 NR3C1 (0.33) GAA
SCHEMBL20170664 0.75 GAA (0.36) GAA
SCHEMBL20170756 0.71 TRPV1 (0.34) GAA
SCHEMBL12646332 0.69 OPRM1 (0.51) GAA
SCHEMBL22058060 0.68 GAA (0.34) GAA
SCHEMBL18458096 0.68 GAA (0.44) GAA

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-2453895-B1 (+) - MORPHINANS AS ANTAGONISTS OF TOLL-LIKE RECEPTOR 9 AND THERAPEUTIC USES THEREOF MALLINCKRODT LLC (US) 2018-05-23 EP disclosed