SCHEMBL8517427

SCHEMBL8517427

CC=C[C@H]1CC[C@H](CCc2ccc(-c3ccc(Cl)cc3)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.44
FAAH O00519 1/20 0.39
GPR84 Q9NQS5 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 2/20 0.34
CHRM1 P11229 1/20 0.34
MCHR1 Q99705 1/20 0.34
CHKA P35790 1/20 0.34
TAAR1 Q96RJ0 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
HTR2B P41595 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A3 Q01959 1/20 0.33

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
SCHEMBL8517423 1.00 MAOB (0.44) MAOBFAAHGPR84L3MBTL1HTR2A
SCHEMBL8517420 1.00 MAOB (0.44) MAOBFAAHGPR84L3MBTL1HTR2A
SCHEMBL8517425 1.00 MAOB (0.44) MAOBFAAHGPR84L3MBTL1HTR2A
SCHEMBL9264050 0.91 MAOB (0.44) MAOBFAAHL3MBTL1HTR2ATAAR1
SCHEMBL9262403 0.91 MAOB (0.44) MAOBFAAHL3MBTL1HTR2ATAAR1
SCHEMBL9262398 0.91 MAOB (0.44) MAOBFAAHL3MBTL1HTR2ATAAR1
SCHEMBL9264043 0.91 MAOB (0.44) MAOBFAAHL3MBTL1HTR2ATAAR1
SCHEMBL8963369 0.87 MAOB (0.45) MAOBFAAHGPR84L3MBTL1HTR2A
SCHEMBL8963373 0.87 MAOB (0.45) MAOBFAAHGPR84L3MBTL1HTR2A
SCHEMBL8517341 0.87 SLC6A3 (0.40) MAOBGPR84SLC6A3

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