SCHEMBL9399028

SCHEMBL9399028

CCCCC[C@H]1CC[C@H](C2CCC(CCCCc3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.35
CNR1 P21554 8/20 0.34
SLC6A2 P23975 5/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A3 Q01959 5/20 0.33
CEL P19835 1/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPT P10636 1/20 0.32
TYR P14679 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL9399033 1.00 CNR2 (0.35) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL9399040 1.00 CNR2 (0.35) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL22277554 0.95 CNR2 (0.31) CNR2CNR1MAPT
SCHEMBL3437342 0.95 CNR2 (0.31) CNR2CNR1MAPT
SCHEMBL7736605 0.95 SLC6A2 (0.33) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL7736611 0.95 SLC6A2 (0.33) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL7736601 0.95 SLC6A2 (0.33) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL10429847 0.93 RIPK1 (0.36) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL10429849 0.93 RIPK1 (0.36) CNR2CNR1SLC6A2SLC6A4SLC6A3
SCHEMBL3437343 0.91 CYP1A2 (0.33) MEN1MAPTTSHRKMT2A

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
US-5346647-A Cyclohexane compounds used in liquid crystalline mixtures HOFFMANN-LA ROCHE INC. (US) 1994-09-13 US disclosed