SCHEMBL20170705

SCHEMBL20170705

COc1ccc2c3c1OC1C3C(CC2)CCC1(OC)OC

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.36
OPRD1 P41143 4/20 0.33
OPRK1 P41145 2/20 0.33
MRGPRX2 Q96LB1 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL20170761 0.83 OPRM1 (0.34) OPRM1OPRD1OPRK1MRGPRX2MAPT
SCHEMBL20170781 0.79 OPRM1 (0.33) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL20170607 0.75 OPRM1 (0.37) OPRM1
SCHEMBL20170728 0.75 OPRM1 (0.37) OPRM1
SCHEMBL20170652 0.75 OPRM1 (0.37) OPRM1
SCHEMBL20170641 0.74 ADRA1A (0.34) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL20170669 0.74 ADRA1A (0.34) OPRM1OPRD1OPRK1MRGPRX2
SCHEMBL20170645 0.73 OPRM1 (0.39) OPRM1OPRD1OPRK1MRGPRX2MAPT
SCHEMBL20170697 0.73 HTR1A (0.34) OPRM1
SCHEMBL20170640 0.73 HTR1A (0.34) OPRM1

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