SCHEMBL7030006

SCHEMBL7030006

CCCC1CCC(CCc2ccc(-c3ccc(CCO)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RARB P10826 3/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
GPR84 Q9NQS5 1/20 0.38
KIF11 P52732 1/20 0.36
S1PR1 P21453 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
FFAR4 Q5NUL3 5/20 0.34

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
SCHEMBL7024857 0.92 RARB (0.44) RARBRARARARGGPR84KIF11
SCHEMBL7031164 0.86 CYP2C9 (0.46) FFAR4
SCHEMBL7025178 0.86 HTR2A (0.37) GPR84S1PR1MAOAMAOBHTR2A
SCHEMBL7030011 0.86 GPR84 (0.39) RARBRARARARGGPR84KIF11
SCHEMBL8219129 0.84 RARB (0.34) RARBRARARARGGPR84MAOA
SCHEMBL8215809 0.84 RARB (0.34) RARBRARARARGGPR84MAOA
SCHEMBL7021187 0.84 KIF11 (0.36) RARBRARARARGGPR84KIF11
SCHEMBL10345128 0.84 CYP17A1 (0.42) RARBRARARARGGPR84KIF11
SCHEMBL7030005 0.84 GPR84 (0.38) RARBRARARARGGPR84MAOA
SCHEMBL7902474 0.83 HTR2A (0.37) RARBRARARARGGPR84MAOA

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