SCHEMBL20170672

SCHEMBL20170672

CC(=O)NC1CCC2CCc3ccc(O)c4c3C2[C@@H]1O4

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.37
OPRM1 P35372 2/20 0.37
OPRK1 P41145 2/20 0.37
MTNR1A P48039 4/20 0.33
MTNR1B P49286 4/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.31
CYP2C9 P11712 1/20 0.31
KMT2A Q03164 1/20 0.31
TUBB1 Q9H4B7 1/20 0.31
LMNA P02545 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
SCHEMBL20170684 0.89 MTNR1A (0.34) OPRD1OPRM1OPRK1MTNR1AMTNR1B
SCHEMBL20170592 0.85 MTNR1A (0.40) MTNR1AMTNR1BKDM4ECYP2C9KMT2A
SCHEMBL20170772 0.79 HTR1A (0.33)
SCHEMBL20170868 0.77
SCHEMBL23132545 0.76
SCHEMBL20170716 0.70 OPRD1 (0.34) OPRD1OPRM1OPRK1
SCHEMBL20170616 0.68
SCHEMBL20170810 0.67 ACHE (0.30)
SCHEMBL20170752 0.67 ACHE (0.30)
SCHEMBL23132547 0.67 OPRM1 (0.31) OPRD1OPRM1OPRK1

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