SCHEMBL20170836

SCHEMBL20170836

Cc1ccc2c3c1OC1C(=O)CCC(CC2)C31

nearest known ligand 0.45

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL20170716 0.84 OPRD1 (0.34)
SCHEMBL20170670 0.84 OPRD1 (0.34)
SCHEMBL20170600 0.83 OPRM1 (0.39)
SCHEMBL20170645 0.83 OPRM1 (0.39)
SCHEMBL20170826 0.82
SCHEMBL13301271 0.76 ANPEP (0.33)
SCHEMBL13971716 0.72 HCRTR1 (0.33)
SCHEMBL20170810 0.70 ACHE (0.30)
SCHEMBL20170684 0.69 MTNR1A (0.34)
SCHEMBL20170697 0.67 HTR1A (0.34)

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