SCHEMBL7021186

SCHEMBL7021186

C=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(COC)c(F)c3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.35
NAAA Q02083 8/20 0.33
FAAH O00519 1/20 0.33
FFAR4 Q5NUL3 1/20 0.30
ABCB1 P08183 1/20 0.30
BACE1 P56817 1/20 0.30

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
SCHEMBL7032285 0.88 GPR84 (0.36) GPR84NAAAFFAR4BACE1
SCHEMBL7028450 0.88 BACE1 (0.33) BACE1
SCHEMBL8390831 0.88 BACE1 (0.33) BACE1
SCHEMBL7030005 0.86 GPR84 (0.38) GPR84NAAAFAAH
SCHEMBL8725458 0.84 GPR84 (0.39) GPR84
SCHEMBL8725462 0.84 GPR84 (0.39) GPR84
SCHEMBL7021187 0.84 KIF11 (0.36) GPR84FFAR4
SCHEMBL8041175 0.83 CYP17A1 (0.39) GPR84
SCHEMBL8518015 0.83 CYP17A1 (0.39) GPR84
SCHEMBL8518012 0.83 CYP17A1 (0.39) GPR84

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-0754668-B1 Fluorobenzylether derivatives ROLIC AG (CH) 2003-02-05 EP disclosed
EP-0754668-A2 Fluorobenzylether derivatives Rolic AG (CH) 1997-01-22 EP disclosed