SCHEMBL8218213

SCHEMBL8218213

C[C@H](c1ccccc1)N1CC=C(c2ccc(OCc3ccccc3)cc2)[C@@H](O)C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.47
CHRM4 P08173 1/20 0.47
ALOX5 P09917 2/20 0.42
ACACB O00763 1/20 0.41
BCHE P06276 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
S1PR5 Q9H228 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL1941467 1.00 FDFT1 (0.47) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL8218218 1.00 FDFT1 (0.47) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL6622776 0.85 FDFT1 (0.44) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL2682972 0.84 FDFT1 (0.46) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL4083377 0.84 FDFT1 (0.46) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL4083380 0.84 FDFT1 (0.46) FDFT1CHRM4ALOX5ACACBBCHE
SCHEMBL8220896 0.79 NPC1 (0.55) FDFT1NPC1RAB9AS1PR5MAPK1
SCHEMBL8220899 0.79 NPC1 (0.55) FDFT1NPC1RAB9AS1PR5MAPK1
SCHEMBL4602100 0.78 HRH3 (0.49) FDFT1CHRM4BCHENPC1RAB9A
SCHEMBL4602103 0.78 HRH3 (0.49) FDFT1CHRM4BCHENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 WO disclosed