SCHEMBL20259458

SCHEMBL20259458

Cc1ccc(CCc2ccc(CCC3CCC(C)OC3)cc2)cc1F

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
DAO P14920 2/20 0.38
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
ALOX5 P09917 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
MAOB P27338 2/20 0.30

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
SCHEMBL18459150 0.82 SLC6A2 (0.45) SLC6A2SLC6A4SLC6A3DAODRD2
SCHEMBL19618873 0.82 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL18625339 0.81 MAOB (0.44) SLC6A2SLC6A4SLC6A3ALOX5MAOB
SCHEMBL17548009 0.79 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3DAODRD2
SCHEMBL19102640 0.78 MAOB (0.35) ALOX5MAOB
SCHEMBL17548020 0.76 SLC6A2 (0.44) SLC6A2SLC6A4SLC6A3DAODRD2
SCHEMBL17548064 0.76 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3DAOCHRM5
SCHEMBL13614620 0.75 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3DAOCHRM5
SCHEMBL17548008 0.75 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3DAOALOX5
SCHEMBL18459151 0.74 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3

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-3551723-B1 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2023-09-20 EP disclosed
WO-2019233978-A1 ADDITIVES FOR LIQUID-CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2019-12-12 WO disclosed
WO-2018104285-A2 ADDITIVES FOR LIQUID CRYSTAL MIXTURES MERCK PATENT GMBH (DE) 2018-06-14 WO disclosed