SCHEMBL6568376

SCHEMBL6568376

CC(C)CCCc1ccc2c(c1)OCC(O)(CBr)O2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
CALM1 P0DP23 1/20 0.36
CNR1 P21554 1/20 0.35
AKT1 P31749 2/20 0.34
TAAR1 Q96RJ0 3/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 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
SCHEMBL6569230 0.94 TAAR1 (0.34) CALM1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6567693 0.93 GRIN2D (0.38) GRIN2DGRIN2AGRIN2BGRIN2CCALM1
SCHEMBL6568426 0.86 CALM1 (0.38) CALM1TAAR1HDAC1HDAC3HDAC2
SCHEMBL6567576 0.85 TAAR1 (0.35) CALM1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6568363 0.84 CALM1 (0.36) CALM1CNR1TAAR1HDAC1HDAC3
SCHEMBL6569390 0.81 SCN9A (0.33) CALM1TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6570597 0.81 TAAR1 (0.37) TAAR1SLC6A2SLC6A4SLC6A3
SCHEMBL6570589 0.80 CNR2 (0.38) CALM1HDAC1HDAC3HDAC2HDAC6
SCHEMBL6567583 0.79 HDAC3 (0.39) HDAC1HDAC3HDAC2HDAC6SLC6A2
SCHEMBL6570579 0.78 CALM1 (0.38) CALM1TAAR1HDAC1HDAC3HDAC2

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-1405851-A1 Method for producing seven-membered diether compounds and intermediates thereof Takasago International Corporation (JP) 2004-04-07 EP disclosed