SCHEMBL20170772

SCHEMBL20170772

OCCNC1CCC2CCc3ccc(O)c4c3C2[C@@H]1O4

nearest known ligand 0.39

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.33

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
SCHEMBL20170869 1.00 HTR1A (0.33) HTR1A
SCHEMBL20170738 0.84 HTR1A (0.40) HTR1A
SCHEMBL20170672 0.79 OPRD1 (0.37)
SCHEMBL20170744 0.77
SCHEMBL20170868 0.77
SCHEMBL23132545 0.76
SCHEMBL20170740 0.76
SCHEMBL20170684 0.68 MTNR1A (0.34) HTR1A
SCHEMBL20170616 0.68
SCHEMBL20170882 0.68

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