SCHEMBL7030005

SCHEMBL7030005

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
RARB P10826 2/20 0.36
RARA P10276 1/20 0.36
RARG P13631 1/20 0.36
NAAA Q02083 9/20 0.35
FAAH O00519 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 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
SCHEMBL7024851 0.92 RARB (0.41) GPR84RARBRARARARGNAAA
SCHEMBL8219129 0.88 RARB (0.34) GPR84RARBRARARARGMAOA
SCHEMBL8215809 0.88 RARB (0.34) GPR84RARBRARARARGMAOA
SCHEMBL7030009 0.86 GPR84 (0.38) GPR84RARBRARARARGNAAA
SCHEMBL8390142 0.86 HTR2A (0.34) MAOAMAOB
SCHEMBL7025174 0.86 HTR2A (0.34) MAOAMAOB
SCHEMBL7021186 0.86 GPR84 (0.35) GPR84NAAAFAAH
SCHEMBL7031162 0.85 CYP2C9 (0.43) NAAAFAAH
SCHEMBL7030006 0.84 RARB (0.39) GPR84RARBRARARARGMAOA
SCHEMBL10345128 0.83 CYP17A1 (0.42) GPR84RARBRARARARGMAOA

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