SCHEMBL8310792

SCHEMBL8310792

Cc1cc(C)c2c(c1C)OC(C)(CNC1CCN(C(c3ccccc3)c3ccccc3)CC1)C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 9/20 0.33
OPRK1 P41145 8/20 0.33
OPRL1 P41146 8/20 0.33
OPRD1 P41143 7/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ACHE P22303 2/20 0.32
BACE1 P56817 2/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32

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
SCHEMBL8310455 0.85 L3MBTL3 (0.33) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL8309484 0.81 HTT (0.31) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL6984259 0.77 MEN1 (0.35) KMT2AACHEBACE1CHRM1
SCHEMBL6983514 0.77 MEN1 (0.35) KMT2AACHEBACE1CHRM1
SCHEMBL8574046 0.72 ADRA1D (0.36) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL13597011 0.68 L3MBTL1 (0.51) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL11371929 0.67 ACHE (0.60) L3MBTL3L3MBTL1KMT2AACHEBACE1
SCHEMBL659177 0.66 MEN1 (0.36) ALDH1A1GAAKMT2ALMNAMAOB
SCHEMBL11374559 0.66 ACHE (0.59) OPRM1OPRK1OPRL1OPRD1GAA
SCHEMBL9698183 0.65 OPRM1 (0.38) OPRM1OPRK1OPRD1ALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0923575-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS Takeda Chemical Industries, Ltd. (JP) 1999-06-23 EP disclosed
WO-1998008842-A1 CYCLIC ETHER COMPOUNDS AS SODIUM CHANNEL MODULATORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-05 WO disclosed