SCHEMBL8963226

SCHEMBL8963226

CCc1c(F)cc(C2CCC([C@H]3CC[C@H](/C=C/Cl)CC3)CC2)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 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
SCHEMBL9300544 0.89
SCHEMBL8962692 0.85
SCHEMBL8963055 0.84
SCHEMBL8963351 0.83 KDM1A (0.32)
SCHEMBL8962761 0.83 PANK3 (0.35) TLR7
SCHEMBL8963434 0.82
SCHEMBL8963271 0.81 KDM1A (0.37)
SCHEMBL8962871 0.81
SCHEMBL8963108 0.81
SCHEMBL8963058 0.79 NPY5R (0.31)

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed