SCHEMBL8517306

SCHEMBL8517306

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.41
HTR2A P28223 1/20 0.41
RPA1 P27694 1/20 0.34
GPR84 Q9NQS5 1/20 0.34
ICMT O60725 1/20 0.34
PGR P06401 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MAOB P27338 3/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
TDP2 O95551 1/20 0.33
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRM3 P20309 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
SCHEMBL8517300 1.00 GRM2 (0.41) GRM2HTR2ARPA1GPR84ICMT
SCHEMBL8517303 1.00 GRM2 (0.41) GRM2HTR2ARPA1GPR84ICMT
SCHEMBL8517305 1.00 GRM2 (0.41) GRM2HTR2ARPA1GPR84ICMT
SCHEMBL8518373 0.91 GPR84 (0.34) GRM2HTR2AGPR84MAOB
SCHEMBL8518375 0.91 GPR84 (0.34) GRM2HTR2AGPR84MAOB
SCHEMBL8518370 0.91 GPR84 (0.34) GRM2HTR2AGPR84MAOB
SCHEMBL8518372 0.91 GPR84 (0.34) GRM2HTR2AGPR84MAOB
SCHEMBL8517341 0.89 SLC6A3 (0.40) GPR84MAOB
SCHEMBL8517555 0.89 CYP17A1 (0.38) GPR84PGRNR1H4MAOB
SCHEMBL8517336 0.89 SLC6A3 (0.40) GPR84MAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0475273-B1 Liquid crystal mixture containing halogenated alcenyl compounds MERCK PATENT GMBH (DE) 1999-04-07 EP disclosed
US-5292452-A Electrooptical devices; high dielectric anisotropy, low rotation viscosity, short response time HOFFMANN-LA ROCHE INC. (US) 1994-03-08 US disclosed
EP-0475273-A1 Halogenated alcenyl compounds F. HOFFMANN-LA ROCHE AG (CH) 1992-03-18 EP disclosed