SCHEMBL6567090

SCHEMBL6567090

O[C@H](CNC(c1cccc(Oc2ccc(Cl)c(C(F)(F)F)c2)c1)c1cc(C(F)(F)F)ccc1F)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.46
TLR8 Q9NR97 3/20 0.38
TLR7 Q9NYK1 2/20 0.38
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAF1 P04049 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CASR P41180 1/20 0.34
CDK8 P49336 1/20 0.34
AR P10275 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
SCN9A Q15858 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
SCHEMBL6274761 1.00 CETP (0.46) CETPTLR8TLR7HTR2ASLC6A4
SCHEMBL6570310 0.93 CETP (0.45) CETPTLR8TLR7HTR2ASLC6A4
SCHEMBL6571560 0.89 CETP (0.60) CETPTLR8TLR7HTR2ASLC6A4
SCHEMBL6568883 0.89 CETP (0.60) CETPTLR8TLR7HTR2ASLC6A4
SCHEMBL1565225 0.88 CETP (0.41) CETPTLR8TLR7IDO1TDO2
SCHEMBL5671186 0.88 CETP (0.41) CETPTLR8TLR7IDO1TDO2
SCHEMBL6568878 0.88 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL6566052 0.88 IDO1 (0.43) CETPIDO1TDO2
SCHEMBL5672270 0.86 CETP (0.43) CETPTLR8TLR7HTR2ASLC6A4
SCHEMBL5669832 0.86 CETP (0.43) CETPTLR8TLR7HTR2ASLC6A4

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-1401399-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES Pfizer Products Inc. (US) 2004-03-31 EP disclosed
WO-2003000226-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING POLYMER AND DRUG ASSEMBLIES PFIZER PRODUCTS INC. (US) 2003-01-03 WO disclosed