SCHEMBL8310455

SCHEMBL8310455

Cc1c(C)c2c(c(C)c1N)CC(C)(CNC1CCN(C(c3ccccc3)c3ccccc3)CC1)O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL3 Q96JM7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
DPP4 P27487 1/20 0.32
OPRM1 P35372 10/20 0.32
OPRK1 P41145 9/20 0.32
OPRL1 P41146 9/20 0.32
OPRD1 P41143 9/20 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
DRD1 P21728 1/20 0.32
ADRA1D P25100 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HRH1 P35367 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
SCHEMBL8309484 0.91 HTT (0.31) L3MBTL3L3MBTL1DPP4OPRM1OPRK1
SCHEMBL8574046 0.87 ADRA1D (0.36) L3MBTL3L3MBTL1DPP4OPRM1OPRK1
SCHEMBL8310792 0.85 L3MBTL3 (0.34) L3MBTL3L3MBTL1OPRM1OPRK1OPRL1
SCHEMBL8311208 0.85 MAOB (0.32)
SCHEMBL9698183 0.81 OPRM1 (0.38) OPRM1OPRK1OPRD1CHRM2CHRM4
Hydrochloric Acid SCHEMBL8713715 0.80 MEN1 (0.38) OPRM1OPRK1OPRD1CHRM2CHRM4
SCHEMBL6983077 0.79 SOS1 (0.39) SLC6A3MAPT
Hydrochloric Acid SCHEMBL6983934 0.78 SOS1 (0.39) SLC6A3MAPT
SCHEMBL6976347 0.77 CHRM1 (0.32) CHRM1
SCHEMBL6980124 0.77 CHRM1 (0.32) CHRM1

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