SCHEMBL7030009

SCHEMBL7030009

CCC[C@H]1CC[C@H](CCc2ccc(-c3cc(F)c(COC)c(F)c3)cc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
RARB P10826 2/20 0.34
RARA P10276 1/20 0.34
RARG P13631 1/20 0.34
GRM2 Q14416 1/20 0.33
CHKA P35790 1/20 0.33
NAAA Q02083 1/20 0.32
HRH3 Q9Y5N1 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
SCHEMBL7026071 0.92 RARB (0.39) GPR84MAOBMAOARARBRARA
SCHEMBL7030005 0.86 GPR84 (0.38) GPR84MAOBMAOARARBRARA
SCHEMBL7032285 0.86 GPR84 (0.36) GPR84MAOBGRM2CHKANAAA
SCHEMBL7033151 0.85 CYP2C9 (0.44)
SCHEMBL8027622 0.84 GPR84 (0.40) GPR84MAOBMAOARARBRARA
SCHEMBL8814984 0.84 GPR84 (0.40) GPR84MAOBMAOARARBRARA
SCHEMBL8027617 0.84 GPR84 (0.40) GPR84MAOBMAOARARBRARA
SCHEMBL7030011 0.84 GPR84 (0.39) GPR84MAOBMAOARARBRARA
SCHEMBL8385887 0.83 TLR4 (0.32)
SCHEMBL7024655 0.83 TLR4 (0.32)

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